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

C22H16ClN3O2 — CID 7294888

IUPAC4-chloro-N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide
SMILESCc1nc2ccccc2c(=O)n1-c1cccc(NC(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C22H16ClN3O2/c1-14-24-20-8-3-2-7-19(20)22(28)26(14)18-6-4-5-17(13-18)25-21(27)15-9-11-16(23)12-10-15/h2-13H,1H3,(H,25,27)
InChIKeyUVBHAFDPKCTKNK-UHFFFAOYSA-N
MW389.84 g/mol
LogP4.60
Rot. Bonds3

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

4-chloro-N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide (PubChem CID 7294888) has the molecular formula C22H16ClN3O2 and a molecular weight of 389.84 g/mol. Its IUPAC name is 4-chloro-N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide
PubChem CID7294888
Molecular FormulaC22H16ClN3O2
Molecular Weight389.84 g/mol
Exact Mass389.09
IUPAC Name4-chloro-N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide
SMILESCc1nc2ccccc2c(=O)n1-c1cccc(NC(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C22H16ClN3O2/c1-14-24-20-8-3-2-7-19(20)22(28)26(14)18-6-4-5-17(13-18)25-21(27)15-9-11-16(23)12-10-15/h2-13H,1H3,(H,25,27)
InChIKeyUVBHAFDPKCTKNK-UHFFFAOYSA-N
XLogP4.60
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.84
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide
CID 7294842
2-(4-chlorophenyl)-N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]acetamide
CID 7294904
N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]naphthalene-1-carboxamide
CID 7577795
3,4-diethoxy-N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide
CID 16830173
N-[3-(cyclopropanecarbonylamino)phenyl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide
CID 46579082
N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-2-phenylacetamide
CID 18576711
4-methyl-N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide
CID 7294843
ethyl N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]carbamate
CID 124926423
N-(3-iodo-4-methylphenyl)-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide
CID 46809727
N-[2-fluoro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-4-methylbenzamide
CID 7593064
2-(2,4-dichlorophenoxy)-N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]acetamide
CID 18576712
N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-2-nitrobenzamide
CID 7294862

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide?
The IUPAC name of 4-chloro-N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide (CID 7294888) is 4-chloro-N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide.
What is the SMILES notation for 4-chloro-N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide?
The canonical SMILES for 4-chloro-N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide is Cc1nc2ccccc2c(=O)n1-c1cccc(NC(=O)c2ccc(Cl)cc2)c1.
What is the InChIKey of 4-chloro-N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide?
The InChIKey is UVBHAFDPKCTKNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClN3O2/c1-14-24-20-8-3-2-7-19(20)22(28)26(14)18-6-4-5-17(13-18)25-21(27)15-9-11-16(23)12-10-15/h2-13H,1H3,(H,25,27).
What are the key properties of 4-chloro-N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide?
4-chloro-N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide has a molecular weight of 389.84 g/mol, XLogP of 4.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide is sourced from PubChem (CID 7294888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).