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Oprea1_364502,ASN 03367454,1-Cyclopentyl-1-(6-methoxy-2-oxo-1,2-dihydr

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摘 要:Oprea1_364502,ASN 03367454,1-Cyclopentyl-1-(6-methoxy-2-oxo-1,2-dihydro-quinolin-3-ylmethyl)-3-phenyl-urea, 1-cyclopentyl-1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-phenylurea,Canonical SMILES: COC1=CC2=C(C=C1)NC(=O)C(=C2)CN(C3CCCC3)C(=O)NC4=CC=C
[Synonyms]
Oprea1_364502
ASN 03367454
1-Cyclopentyl-1-(6-methoxy-2-oxo-1,2-dihydro-quinolin-3-ylmethyl)-3-phenyl-urea

[Structure]
Oprea1_364502,ASN 03367454,1-Cyclopentyl-1-(6-methoxy-2-oxo-1,2-dihydr

[ Properties Computed from Structure]
Molecular Weight391.4629 [g/mol]
Molecular FormulaC23H25N3O3
XLogP3.1
H-Bond Donor2
H-Bond Acceptor3
Rotatable Bond Count5
Tautomer Count4
Exact Mass391.189592
MonoIsotopic Mass391.189592
Topological Polar Surface Area70.7
Heavy Atom Count29
Formal Charge0
Complexity623
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: 1-cyclopentyl-1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-phenylurea
Canonical SMILES: COC1=CC2=C(C=C1)NC(=O)C(=C2)CN(C3CCCC3)C(=O)NC4=CC=CC=C4
InChI: InChI=1/C23H25N3O3/c1-29-20-11-12-21-16(14-20)13-17(22(27)25-21)15-26
(19-9-5-6-10-19)23(28)24-18-7-3-2-4-8-18/h2-4,7-8,11-14,19H,5-6,9-10,
15H2,1H3,(H,24,28)(H,25,27)/f/h24-25H

 
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