2-bromo-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(3-methylphenyl)benzamide

C25H21BrN2O2 — CID 3447208

IUPAC2-bromo-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(3-methylphenyl)benzamide
SMILESCc1cccc(N(Cc2cc3cccc(C)c3[nH]c2=O)C(=O)c2ccccc2Br)c1
InChIInChI=1S/C25H21BrN2O2/c1-16-7-5-10-20(13-16)28(25(30)21-11-3-4-12-22(21)26)15-19-14-18-9-6-8-17(2)23(18)27-24(19)29/h3-14H,15H2,1-2H3,(H,27,29)
InChIKeyTZKDJUAJORWSSA-UHFFFAOYSA-N
MW461.36 g/mol
LogP5.75
Rot. Bonds4

About 2-bromo-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(3-methylphenyl)benzamide

2-bromo-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(3-methylphenyl)benzamide (PubChem CID 3447208) has the molecular formula C25H21BrN2O2 and a molecular weight of 461.36 g/mol. Its IUPAC name is 2-bromo-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(3-methylphenyl)benzamide.

Molecular Properties

Compound Name2-bromo-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(3-methylphenyl)benzamide
PubChem CID3447208
Molecular FormulaC25H21BrN2O2
Molecular Weight461.36 g/mol
Exact Mass460.08
IUPAC Name2-bromo-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(3-methylphenyl)benzamide
SMILESCc1cccc(N(Cc2cc3cccc(C)c3[nH]c2=O)C(=O)c2ccccc2Br)c1
InChIInChI=1S/C25H21BrN2O2/c1-16-7-5-10-20(13-16)28(25(30)21-11-3-4-12-22(21)26)15-19-14-18-9-6-8-17(2)23(18)27-24(19)29/h3-14H,15H2,1-2H3,(H,27,29)
InChIKeyTZKDJUAJORWSSA-UHFFFAOYSA-N
XLogP5.75
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.36
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-phenylbenzamide
CID 17096505
2-methyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(3-methylphenyl)benzamide
CID 1389699
N-(3,4-dimethylphenyl)-2-methoxy-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 1410281
N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-phenylfuran-2-carboxamide
CID 1382192
2-fluoro-N-(4-methoxyphenyl)-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 1421798
2-methoxy-N-(3-methylphenyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 3721115
4-methoxy-N-(3-methoxyphenyl)-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 1422005
2,2-dimethyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-methylphenyl)propanamide
CID 2010254
N-(4-ethoxyphenyl)-4-methyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 1418449
N-(3-methoxyphenyl)-2-methyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 1391995
N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-methylphenyl)pyridine-4-carboxamide
CID 3682103
N-(4-methoxyphenyl)-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]thiophene-2-carboxamide
CID 3296261

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(3-methylphenyl)benzamide?
The IUPAC name of 2-bromo-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(3-methylphenyl)benzamide (CID 3447208) is 2-bromo-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(3-methylphenyl)benzamide.
What is the SMILES notation for 2-bromo-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(3-methylphenyl)benzamide?
The canonical SMILES for 2-bromo-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(3-methylphenyl)benzamide is Cc1cccc(N(Cc2cc3cccc(C)c3[nH]c2=O)C(=O)c2ccccc2Br)c1.
What is the InChIKey of 2-bromo-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(3-methylphenyl)benzamide?
The InChIKey is TZKDJUAJORWSSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21BrN2O2/c1-16-7-5-10-20(13-16)28(25(30)21-11-3-4-12-22(21)26)15-19-14-18-9-6-8-17(2)23(18)27-24(19)29/h3-14H,15H2,1-2H3,(H,27,29).
What are the key properties of 2-bromo-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(3-methylphenyl)benzamide?
2-bromo-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(3-methylphenyl)benzamide has a molecular weight of 461.36 g/mol, XLogP of 5.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(3-methylphenyl)benzamide is sourced from PubChem (CID 3447208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).