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ZINC00035204 (2R)-3-pyridin-2-yl-2-pyridin-4-yl-1,2-dihydroquinazolin-

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摘 要:ZINC00035204 (2R)-3-pyridin-2-yl-2-pyridin-4-yl-1,2-dihydroquinazolin-4-one,Canonical SMILES: C1=CC=C2C(=C1)C(=O)N(C(N2)C3=CC=NC=C3)C4=CC=CC=N4,Isomeric SMILES: C1=CC=C2C(=C1)C(=O)N([C@@H](N2)C3=CC=NC=C3)C4=CC=CC=N4,InChI: InChI=1/C18H14N4O/c23-18-14
[Synonyms]
ZINC00035204
[Structure]
ZINC00035204 (2R)-3-pyridin-2-yl-2-pyridin-4-yl-1,2-dihydroquinazolin-

[ Properties Computed from Structure]
Molecular Weight302.32996 [g/mol]
Molecular FormulaC18H14N4O
XLogP2.7
H-Bond Donor1
H-Bond Acceptor4
Rotatable Bond Count2
Tautomer Count2
Exact Mass302.116761
MonoIsotopic Mass302.116761
Topological Polar Surface Area58.1
Heavy Atom Count23
Formal Charge0
Complexity423
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)-3-pyridin-2-yl-2-pyridin-4-yl-1,2-dihydroquinazolin-4-one
Canonical SMILES: C1=CC=C2C(=C1)C(=O)N(C(N2)C3=CC=NC=C3)C4=CC=CC=N4
Isomeric SMILES: C1=CC=C2C(=C1)C(=O)N([C@@H](N2)C3=CC=NC=C3)C4=CC=CC=N4
InChI: InChI=1/C18H14N4O/c23-18-14-5-1-2-6-15(14)21-17(13-8-11-19-12-9-13)22
(18)16-7-3-4-10-20-16/h1-12,17,21H/t17-/m1/s1

 
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