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ZINC00843033 (2R)-2-(4-dimethylaminophenyl)-1,3-dimethyl-2H-quinazolin

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摘 要:ZINC00843033 (2R)-2-(4-dimethylaminophenyl)-1,3-dimethyl-2H-quinazolin-4-one,Canonical SMILES: CN1C(N(C(=O)C2=CC=CC=C21)C)C3=CC=C(C=C3)N(C)C,Isomeric SMILES: CN1[C@H](N(C(=O)C2=CC=CC=C21)C)C3=CC=C(C=C3)N(C)C,InChI: InChI=1/C18H21N3O/c1-19(2)14-11-9-1
[Synonyms]
ZINC00843033
[Structure]
ZINC00843033 (2R)-2-(4-dimethylaminophenyl)-1,3-dimethyl-2H-quinazolin

[ Properties Computed from Structure]
Molecular Weight295.37884 [g/mol]
Molecular FormulaC18H21N3O
XLogP3.7
H-Bond Donor0
H-Bond Acceptor3
Rotatable Bond Count2
Exact Mass295.168462
MonoIsotopic Mass295.168462
Topological Polar Surface Area26.8
Heavy Atom Count22
Formal Charge0
Complexity403
Isotope Atom Count0
Defined Atom StereoCenter Count1
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: (2R)-2-(4-dimethylaminophenyl)-1,3-dimethyl-2H-quinazolin-4-one
Canonical SMILES: CN1C(N(C(=O)C2=CC=CC=C21)C)C3=CC=C(C=C3)N(C)C
Isomeric SMILES: CN1[C@H](N(C(=O)C2=CC=CC=C21)C)C3=CC=C(C=C3)N(C)C
InChI: InChI=1/C18H21N3O/c1-19(2)14-11-9-13(10-12-14)17-20(3)16-8-6-5-7-15(16)
18(22)21(17)4/h5-12,17H,1-4H3/t17-/m1/s1

 
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