2-chloro-N-[2-(3-methoxyphenyl)-4-oxoquinazolin-3-yl]benzamide

C22H16ClN3O3 — CID 23994102

IUPAC2-chloro-N-[2-(3-methoxyphenyl)-4-oxoquinazolin-3-yl]benzamide
SMILESCOc1cccc(-c2nc3ccccc3c(=O)n2NC(=O)c2ccccc2Cl)c1
InChIInChI=1S/C22H16ClN3O3/c1-29-15-8-6-7-14(13-15)20-24-19-12-5-3-10-17(19)22(28)26(20)25-21(27)16-9-2-4-11-18(16)23/h2-13H,1H3,(H,25,27)
InChIKeyAGTROBREINIKDU-UHFFFAOYSA-N
MW405.84 g/mol
LogP4.11
Rot. Bonds4

About 2-chloro-N-[2-(3-methoxyphenyl)-4-oxoquinazolin-3-yl]benzamide

2-chloro-N-[2-(3-methoxyphenyl)-4-oxoquinazolin-3-yl]benzamide (PubChem CID 23994102) has the molecular formula C22H16ClN3O3 and a molecular weight of 405.84 g/mol. Its IUPAC name is 2-chloro-N-[2-(3-methoxyphenyl)-4-oxoquinazolin-3-yl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[2-(3-methoxyphenyl)-4-oxoquinazolin-3-yl]benzamide
PubChem CID23994102
Molecular FormulaC22H16ClN3O3
Molecular Weight405.84 g/mol
Exact Mass405.09
IUPAC Name2-chloro-N-[2-(3-methoxyphenyl)-4-oxoquinazolin-3-yl]benzamide
SMILESCOc1cccc(-c2nc3ccccc3c(=O)n2NC(=O)c2ccccc2Cl)c1
InChIInChI=1S/C22H16ClN3O3/c1-29-15-8-6-7-14(13-15)20-24-19-12-5-3-10-17(19)22(28)26(20)25-21(27)16-9-2-4-11-18(16)23/h2-13H,1H3,(H,25,27)
InChIKeyAGTROBREINIKDU-UHFFFAOYSA-N
XLogP4.11
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.84
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-bromo-5-methoxy-N-[2-(3-methylphenyl)-4-oxoquinazolin-3-yl]benzamide
CID 6737712
N-[2-(3-methoxyphenyl)-4-oxoquinazolin-3-yl]-3-methyl-4-nitrobenzamide
CID 23989138
N-[2-(3-methylphenyl)-4-oxoquinazolin-3-yl]benzamide
CID 170732468
2-chloro-N-[(4-oxo-2-phenylquinazolin-3-yl)carbamothioyl]benzamide
CID 1213092
2-chloro-N-[4-oxo-2-(3,4,5-trimethoxyphenyl)quinazolin-3-yl]pyridine-3-carboxamide
CID 6737770
4-tert-butyl-N-[2-(3,5-dimethoxyphenyl)-4-oxoquinazolin-3-yl]benzamide
CID 23851582
N-[2-(3-chlorophenyl)-4-oxoquinazolin-3-yl]acetamide
CID 170732444
N-[2-(4-fluorophenyl)-4-oxoquinazolin-3-yl]-2,3-dimethoxybenzamide
CID 23847600
4-methoxy-N-(4-oxo-2-pyridin-4-ylquinazolin-3-yl)benzamide
CID 23797785
N-[2-(3-chlorophenyl)-4-oxoquinazolin-3-yl]pyridine-2-carboxamide
CID 170732450
N-[2-(2-fluorophenyl)-4-oxoquinazolin-3-yl]-2,4-dimethoxybenzamide
CID 23905907
4-(diethylamino)-N-[2-(3,5-dimethoxyphenyl)-4-oxoquinazolin-3-yl]benzamide
CID 6737747

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(3-methoxyphenyl)-4-oxoquinazolin-3-yl]benzamide?
The IUPAC name of 2-chloro-N-[2-(3-methoxyphenyl)-4-oxoquinazolin-3-yl]benzamide (CID 23994102) is 2-chloro-N-[2-(3-methoxyphenyl)-4-oxoquinazolin-3-yl]benzamide.
What is the SMILES notation for 2-chloro-N-[2-(3-methoxyphenyl)-4-oxoquinazolin-3-yl]benzamide?
The canonical SMILES for 2-chloro-N-[2-(3-methoxyphenyl)-4-oxoquinazolin-3-yl]benzamide is COc1cccc(-c2nc3ccccc3c(=O)n2NC(=O)c2ccccc2Cl)c1.
What is the InChIKey of 2-chloro-N-[2-(3-methoxyphenyl)-4-oxoquinazolin-3-yl]benzamide?
The InChIKey is AGTROBREINIKDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClN3O3/c1-29-15-8-6-7-14(13-15)20-24-19-12-5-3-10-17(19)22(28)26(20)25-21(27)16-9-2-4-11-18(16)23/h2-13H,1H3,(H,25,27).
What are the key properties of 2-chloro-N-[2-(3-methoxyphenyl)-4-oxoquinazolin-3-yl]benzamide?
2-chloro-N-[2-(3-methoxyphenyl)-4-oxoquinazolin-3-yl]benzamide has a molecular weight of 405.84 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(3-methoxyphenyl)-4-oxoquinazolin-3-yl]benzamide is sourced from PubChem (CID 23994102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).