5-chloro-2-methoxy-N-(4-oxoquinazolin-3-yl)benzamide

C16H12ClN3O3 — CID 3243397

IUPAC5-chloro-2-methoxy-N-(4-oxoquinazolin-3-yl)benzamide
SMILESCOc1ccc(Cl)cc1C(=O)Nn1cnc2ccccc2c1=O
InChIInChI=1S/C16H12ClN3O3/c1-23-14-7-6-10(17)8-12(14)15(21)19-20-9-18-13-5-3-2-4-11(13)16(20)22/h2-9H,1H3,(H,19,21)
InChIKeyXAKSXGZSKCFCQP-UHFFFAOYSA-N
MW329.74 g/mol
LogP2.44
Rot. Bonds3

About 5-chloro-2-methoxy-N-(4-oxoquinazolin-3-yl)benzamide

5-chloro-2-methoxy-N-(4-oxoquinazolin-3-yl)benzamide (PubChem CID 3243397) has the molecular formula C16H12ClN3O3 and a molecular weight of 329.74 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N-(4-oxoquinazolin-3-yl)benzamide.

Molecular Properties

Compound Name5-chloro-2-methoxy-N-(4-oxoquinazolin-3-yl)benzamide
PubChem CID3243397
Molecular FormulaC16H12ClN3O3
Molecular Weight329.74 g/mol
Exact Mass329.06
IUPAC Name5-chloro-2-methoxy-N-(4-oxoquinazolin-3-yl)benzamide
SMILESCOc1ccc(Cl)cc1C(=O)Nn1cnc2ccccc2c1=O
InChIInChI=1S/C16H12ClN3O3/c1-23-14-7-6-10(17)8-12(14)15(21)19-20-9-18-13-5-3-2-4-11(13)16(20)22/h2-9H,1H3,(H,19,21)
InChIKeyXAKSXGZSKCFCQP-UHFFFAOYSA-N
XLogP2.44
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.74
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-Methoxy-N-(2-methyl-4-oxo-3,4-dihydroquinazolin-3-YL)benzamide
CID 4173504
N-(2-Cyclobutyl-4-oxo-4H-quinazolin-3-yl)-2-methoxy-benzamide
CID 648030
2-methoxy-N-(4-oxoquinazolin-3(4H)-yl)benzamide
CID 3240950
5-chloro-2-methoxy-N-(2-methyl-4-oxoquinazolin-3(4H)-yl)benzamide
CID 3244358
2,4-Dimethoxy-N-(4-oxo-3,4-dihydroquinazolin-3-YL)benzamide
CID 4374184
5-Chloro-2-methoxy-N-{11-oxo-6H,7H,8H,9H,11H-pyrido[2,1-B]quinazolin-2-YL}benzamide
CID 6623418
7-(5-chloro-2-methoxybenzoyl)-2-phenyl-5,6,7,8-tetrahydropyrazolo[1,5-a]pyrido[4,3-d]pyrimidin-9(1H)-one
CID 53184033
(4-Oxo-1,2,3-benzotriazin-3-yl)methyl 5-chloro-2-methoxybenzoate
CID 866914
5-chloro-2-methoxy-N-(3-(2-methyl-4-oxoquinazolin-3(4H)-yl)phenyl)benzamide
CID 16830179
6-(5-chloro-2-methoxybenzoyl)-2-phenyl-5,6,7,8-tetrahydropyrazolo[1,5-a]pyrido[3,4-d]pyrimidin-9(1H)-one
CID 53183867
7-(5-chloro-2-methoxybenzoyl)-5,6,7,8-tetrahydropyrazolo[1,5-a]pyrido[4,3-d]pyrimidin-9(1H)-one
CID 53183982
2-chloro-N-[(2-methoxyphenyl)methyl]-11-oxopyrido[2,1-b]quinazoline-8-carboxamide
CID 156601427

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N-(4-oxoquinazolin-3-yl)benzamide?
The IUPAC name of 5-chloro-2-methoxy-N-(4-oxoquinazolin-3-yl)benzamide (CID 3243397) is 5-chloro-2-methoxy-N-(4-oxoquinazolin-3-yl)benzamide.
What is the SMILES notation for 5-chloro-2-methoxy-N-(4-oxoquinazolin-3-yl)benzamide?
The canonical SMILES for 5-chloro-2-methoxy-N-(4-oxoquinazolin-3-yl)benzamide is COc1ccc(Cl)cc1C(=O)Nn1cnc2ccccc2c1=O.
What is the InChIKey of 5-chloro-2-methoxy-N-(4-oxoquinazolin-3-yl)benzamide?
The InChIKey is XAKSXGZSKCFCQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN3O3/c1-23-14-7-6-10(17)8-12(14)15(21)19-20-9-18-13-5-3-2-4-11(13)16(20)22/h2-9H,1H3,(H,19,21).
What are the key properties of 5-chloro-2-methoxy-N-(4-oxoquinazolin-3-yl)benzamide?
5-chloro-2-methoxy-N-(4-oxoquinazolin-3-yl)benzamide has a molecular weight of 329.74 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-N-(4-oxoquinazolin-3-yl)benzamide is sourced from PubChem (CID 3243397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).