N-(2-benzyl-7-chloro-4-oxoquinazolin-3-yl)pyridine-4-carboxamide

C21H15ClN4O2 — CID 43816393

IUPACN-(2-benzyl-7-chloro-4-oxoquinazolin-3-yl)pyridine-4-carboxamide
SMILESO=C(Nn1c(Cc2ccccc2)nc2cc(Cl)ccc2c1=O)c1ccncc1
InChIInChI=1S/C21H15ClN4O2/c22-16-6-7-17-18(13-16)24-19(12-14-4-2-1-3-5-14)26(21(17)28)25-20(27)15-8-10-23-11-9-15/h1-11,13H,12H2,(H,25,27)
InChIKeyQNFZLAOPVQJNMI-UHFFFAOYSA-N
MW390.83 g/mol
LogP3.42
Rot. Bonds4

About N-(2-benzyl-7-chloro-4-oxoquinazolin-3-yl)pyridine-4-carboxamide

N-(2-benzyl-7-chloro-4-oxoquinazolin-3-yl)pyridine-4-carboxamide (PubChem CID 43816393) has the molecular formula C21H15ClN4O2 and a molecular weight of 390.83 g/mol. Its IUPAC name is N-(2-benzyl-7-chloro-4-oxoquinazolin-3-yl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2-benzyl-7-chloro-4-oxoquinazolin-3-yl)pyridine-4-carboxamide
PubChem CID43816393
Molecular FormulaC21H15ClN4O2
Molecular Weight390.83 g/mol
Exact Mass390.09
IUPAC NameN-(2-benzyl-7-chloro-4-oxoquinazolin-3-yl)pyridine-4-carboxamide
SMILESO=C(Nn1c(Cc2ccccc2)nc2cc(Cl)ccc2c1=O)c1ccncc1
InChIInChI=1S/C21H15ClN4O2/c22-16-6-7-17-18(13-16)24-19(12-14-4-2-1-3-5-14)26(21(17)28)25-20(27)15-8-10-23-11-9-15/h1-11,13H,12H2,(H,25,27)
InChIKeyQNFZLAOPVQJNMI-UHFFFAOYSA-N
XLogP3.42
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.83
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(7-chloro-2-cyclobutyl-4-oxoquinazolin-3-yl)benzamide
CID 6487223
3-amino-2-benzyl-7-chloroquinazolin-4-one
CID 6488202
N-(2-benzyl-4-oxoquinazolin-3-yl)-3,4-dimethoxybenzamide
CID 43816379
N-[2-benzyl-3-[(3-chlorophenyl)methyl]-4-oxoquinazolin-6-yl]-4-chlorobenzamide
CID 3188187
3-anilino-2-but-3-ynyl-7-chloroquinazolin-4-one
CID 89219972
3-chloro-N-[2-(4-chlorophenyl)-4-oxoquinazolin-3-yl]benzamide
CID 23909571
3-chloro-11-oxo-N-(2-phenylethyl)pyrido[2,1-b]quinazoline-8-carboxamide
CID 3625637
N-[2-(4-chlorophenyl)-4-oxoquinazolin-3-yl]-4-ethylbenzamide
CID 23740001
N-[2-[2-(benzylamino)-2-oxoethyl]-4-oxoquinazolin-3-yl]-2-phenylacetamide
CID 10025480
N-[(3-methyl-4-oxoquinazolin-2-yl)methyl]pyridine-4-carboxamide
CID 84513157
propan-2-yl 2-(3-benzyl-7-chloro-4-oxoquinazolin-2-yl)acetate
CID 174510963
3-methyl-N-(4-oxo-2-pyridin-4-ylquinazolin-3-yl)benzamide
CID 23881942

Frequently Asked Questions

What is the IUPAC name of N-(2-benzyl-7-chloro-4-oxoquinazolin-3-yl)pyridine-4-carboxamide?
The IUPAC name of N-(2-benzyl-7-chloro-4-oxoquinazolin-3-yl)pyridine-4-carboxamide (CID 43816393) is N-(2-benzyl-7-chloro-4-oxoquinazolin-3-yl)pyridine-4-carboxamide.
What is the SMILES notation for N-(2-benzyl-7-chloro-4-oxoquinazolin-3-yl)pyridine-4-carboxamide?
The canonical SMILES for N-(2-benzyl-7-chloro-4-oxoquinazolin-3-yl)pyridine-4-carboxamide is O=C(Nn1c(Cc2ccccc2)nc2cc(Cl)ccc2c1=O)c1ccncc1.
What is the InChIKey of N-(2-benzyl-7-chloro-4-oxoquinazolin-3-yl)pyridine-4-carboxamide?
The InChIKey is QNFZLAOPVQJNMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClN4O2/c22-16-6-7-17-18(13-16)24-19(12-14-4-2-1-3-5-14)26(21(17)28)25-20(27)15-8-10-23-11-9-15/h1-11,13H,12H2,(H,25,27).
What are the key properties of N-(2-benzyl-7-chloro-4-oxoquinazolin-3-yl)pyridine-4-carboxamide?
N-(2-benzyl-7-chloro-4-oxoquinazolin-3-yl)pyridine-4-carboxamide has a molecular weight of 390.83 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzyl-7-chloro-4-oxoquinazolin-3-yl)pyridine-4-carboxamide is sourced from PubChem (CID 43816393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).