2-bromo-N-[2-chloro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide

C22H15BrClN3O2 — CID 41077195

IUPAC2-bromo-N-[2-chloro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide
SMILESCc1nc2ccccc2c(=O)n1-c1ccc(Cl)c(NC(=O)c2ccccc2Br)c1
InChIInChI=1S/C22H15BrClN3O2/c1-13-25-19-9-5-3-7-16(19)22(29)27(13)14-10-11-18(24)20(12-14)26-21(28)15-6-2-4-8-17(15)23/h2-12H,1H3,(H,26,28)
InChIKeySTWHGNSVZITAEK-UHFFFAOYSA-N
MW468.74 g/mol
LogP5.36
Rot. Bonds3

About 2-bromo-N-[2-chloro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide

2-bromo-N-[2-chloro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide (PubChem CID 41077195) has the molecular formula C22H15BrClN3O2 and a molecular weight of 468.74 g/mol. Its IUPAC name is 2-bromo-N-[2-chloro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide.

Molecular Properties

Compound Name2-bromo-N-[2-chloro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide
PubChem CID41077195
Molecular FormulaC22H15BrClN3O2
Molecular Weight468.74 g/mol
Exact Mass467.00
IUPAC Name2-bromo-N-[2-chloro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide
SMILESCc1nc2ccccc2c(=O)n1-c1ccc(Cl)c(NC(=O)c2ccccc2Br)c1
InChIInChI=1S/C22H15BrClN3O2/c1-13-25-19-9-5-3-7-16(19)22(29)27(13)14-10-11-18(24)20(12-14)26-21(28)15-6-2-4-8-17(15)23/h2-12H,1H3,(H,26,28)
InChIKeySTWHGNSVZITAEK-UHFFFAOYSA-N
XLogP5.36
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.74
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[2-chloro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide
CID 41077192
2,5-dichloro-N-[2-chloro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide
CID 41077256
N-[2-chloro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-2,3-dimethoxybenzamide
CID 16830447
5-bromo-2-chloro-N-[2-fluoro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide
CID 41077291
2,5-dichloro-N-[2-methyl-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide
CID 41027687
N-[2-chloro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]cyclopropanecarboxamide
CID 7593023
N-[2-chloro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-4-ethoxybenzamide
CID 41077216
N-[2-chloro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-3-(trifluoromethyl)benzamide
CID 41077190
4-butoxy-N-[2-chloro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide
CID 41077206
N-[2-chloro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-8-ethoxy-2-oxochromene-3-carboxamide
CID 41077262
N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]naphthalene-1-carboxamide
CID 7577795
N-[2-fluoro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-4-methylbenzamide
CID 7593064

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[2-chloro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide?
The IUPAC name of 2-bromo-N-[2-chloro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide (CID 41077195) is 2-bromo-N-[2-chloro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide.
What is the SMILES notation for 2-bromo-N-[2-chloro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide?
The canonical SMILES for 2-bromo-N-[2-chloro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide is Cc1nc2ccccc2c(=O)n1-c1ccc(Cl)c(NC(=O)c2ccccc2Br)c1.
What is the InChIKey of 2-bromo-N-[2-chloro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide?
The InChIKey is STWHGNSVZITAEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15BrClN3O2/c1-13-25-19-9-5-3-7-16(19)22(29)27(13)14-10-11-18(24)20(12-14)26-21(28)15-6-2-4-8-17(15)23/h2-12H,1H3,(H,26,28).
What are the key properties of 2-bromo-N-[2-chloro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide?
2-bromo-N-[2-chloro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide has a molecular weight of 468.74 g/mol, XLogP of 5.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[2-chloro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide is sourced from PubChem (CID 41077195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).