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

C19H14ClN3O — CID 673060

IUPAC(2R)-3-(2-chlorophenyl)-2-pyridin-4-yl-1,2-dihydroquinazolin-4-one
SMILESO=C1c2ccccc2N[C@@H](c2ccncc2)N1c1ccccc1Cl
InChIInChI=1S/C19H14ClN3O/c20-15-6-2-4-8-17(15)23-18(13-9-11-21-12-10-13)22-16-7-3-1-5-14(16)19(23)24/h1-12,18,22H/t18-/m1/s1
InChIKeyWREREZOJTWGLBN-GOSISDBHSA-N
MW335.79 g/mol
LogP4.51
Rot. Bonds2

About (2R)-3-(2-chlorophenyl)-2-pyridin-4-yl-1,2-dihydroquinazolin-4-one

(2R)-3-(2-chlorophenyl)-2-pyridin-4-yl-1,2-dihydroquinazolin-4-one (PubChem CID 673060) has the molecular formula C19H14ClN3O and a molecular weight of 335.79 g/mol. Its IUPAC name is (2R)-3-(2-chlorophenyl)-2-pyridin-4-yl-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name(2R)-3-(2-chlorophenyl)-2-pyridin-4-yl-1,2-dihydroquinazolin-4-one
PubChem CID673060
Molecular FormulaC19H14ClN3O
Molecular Weight335.79 g/mol
Exact Mass335.08
IUPAC Name(2R)-3-(2-chlorophenyl)-2-pyridin-4-yl-1,2-dihydroquinazolin-4-one
SMILESO=C1c2ccccc2N[C@@H](c2ccncc2)N1c1ccccc1Cl
InChIInChI=1S/C19H14ClN3O/c20-15-6-2-4-8-17(15)23-18(13-9-11-21-12-10-13)22-16-7-3-1-5-14(16)19(23)24/h1-12,18,22H/t18-/m1/s1
InChIKeyWREREZOJTWGLBN-GOSISDBHSA-N
XLogP4.51
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.79
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-3-phenyl-2-pyridin-4-yl-1,2-dihydroquinazolin-4-one
CID 9006944
(2S)-3-pyridin-2-yl-2-pyridin-4-yl-1,2-dihydroquinazolin-4-one
CID 673215
(2R)-3-(2-chlorophenyl)-2-thiophen-2-yl-1,2-dihydroquinazolin-4-one
CID 7327692
(2R)-3-(4-fluorophenyl)-2-pyridin-4-yl-1,2-dihydroquinazolin-4-one
CID 9007353
(2R)-3-cyclopentyl-2-pyridin-4-yl-1,2-dihydroquinazolin-4-one
CID 51454335
(2S)-2-(4-fluorophenyl)-3-(2-methoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 9007508
2-(4-chlorophenyl)-3-(2-methylquinolin-8-yl)-1,2-dihydroquinazolin-4-one
CID 102489521
(2R)-2-(4-methoxyphenyl)-3-pyridin-2-yl-1,2-dihydroquinazolin-4-one
CID 686642
(2R)-3-(2,4-dimethoxyphenyl)-2-pyridin-3-yl-1,2-dihydroquinazolin-4-one
CID 40790567
(2S)-2-(4-imidazol-1-ylphenyl)-3-phenyl-1,2-dihydroquinazolin-4-one
CID 40671026
(2S)-2,3-bis(4-methylphenyl)-1,2-dihydroquinazolin-4-one
CID 805625
(2R)-2-(4-chlorophenyl)-3-(3,5-dimethylphenyl)-1,2-dihydroquinazolin-4-one
CID 1035984

Frequently Asked Questions

What is the IUPAC name of (2R)-3-(2-chlorophenyl)-2-pyridin-4-yl-1,2-dihydroquinazolin-4-one?
The IUPAC name of (2R)-3-(2-chlorophenyl)-2-pyridin-4-yl-1,2-dihydroquinazolin-4-one (CID 673060) is (2R)-3-(2-chlorophenyl)-2-pyridin-4-yl-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for (2R)-3-(2-chlorophenyl)-2-pyridin-4-yl-1,2-dihydroquinazolin-4-one?
The canonical SMILES for (2R)-3-(2-chlorophenyl)-2-pyridin-4-yl-1,2-dihydroquinazolin-4-one is O=C1c2ccccc2N[C@@H](c2ccncc2)N1c1ccccc1Cl.
What is the InChIKey of (2R)-3-(2-chlorophenyl)-2-pyridin-4-yl-1,2-dihydroquinazolin-4-one?
The InChIKey is WREREZOJTWGLBN-GOSISDBHSA-N. The full InChI is InChI=1S/C19H14ClN3O/c20-15-6-2-4-8-17(15)23-18(13-9-11-21-12-10-13)22-16-7-3-1-5-14(16)19(23)24/h1-12,18,22H/t18-/m1/s1.
What are the key properties of (2R)-3-(2-chlorophenyl)-2-pyridin-4-yl-1,2-dihydroquinazolin-4-one?
(2R)-3-(2-chlorophenyl)-2-pyridin-4-yl-1,2-dihydroquinazolin-4-one has a molecular weight of 335.79 g/mol, XLogP of 4.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(2-chlorophenyl)-2-pyridin-4-yl-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 673060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).