2-(3-bromophenyl)-N-pyridin-4-ylquinoline-4-carboxamide

C21H14BrN3O — CID 5182253

IUPAC2-(3-bromophenyl)-N-pyridin-4-ylquinoline-4-carboxamide
SMILESO=C(Nc1ccncc1)c1cc(-c2cccc(Br)c2)nc2ccccc12
InChIInChI=1S/C21H14BrN3O/c22-15-5-3-4-14(12-15)20-13-18(17-6-1-2-7-19(17)25-20)21(26)24-16-8-10-23-11-9-16/h1-13H,(H,23,24,26)
InChIKeyKMNOKCDTIXDWOY-UHFFFAOYSA-N
MW404.27 g/mol
LogP5.31
Rot. Bonds3

About 2-(3-bromophenyl)-N-pyridin-4-ylquinoline-4-carboxamide

2-(3-bromophenyl)-N-pyridin-4-ylquinoline-4-carboxamide (PubChem CID 5182253) has the molecular formula C21H14BrN3O and a molecular weight of 404.27 g/mol. Its IUPAC name is 2-(3-bromophenyl)-N-pyridin-4-ylquinoline-4-carboxamide.

Molecular Properties

Compound Name2-(3-bromophenyl)-N-pyridin-4-ylquinoline-4-carboxamide
PubChem CID5182253
Molecular FormulaC21H14BrN3O
Molecular Weight404.27 g/mol
Exact Mass403.03
IUPAC Name2-(3-bromophenyl)-N-pyridin-4-ylquinoline-4-carboxamide
SMILESO=C(Nc1ccncc1)c1cc(-c2cccc(Br)c2)nc2ccccc12
InChIInChI=1S/C21H14BrN3O/c22-15-5-3-4-14(12-15)20-13-18(17-6-1-2-7-19(17)25-20)21(26)24-16-8-10-23-11-9-16/h1-13H,(H,23,24,26)
InChIKeyKMNOKCDTIXDWOY-UHFFFAOYSA-N
XLogP5.31
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.27
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

((2R,4S)-2-Benzyl-4-((quinolin-4-ylmethyl)amino)piperidin-1-yl)(3,5-dimethylphenyl)methanone
CID 9869033
SN 6999
CID 149449
1-Methyl-4-{[4-({4-[(1-methylpyridinium-4-yl)amino]phenyl}carbamoyl)phenyl]amino}quinolinium
CID 128904
N-5-quinolinylnicotinamide
CID 952495
N-(quinolin-6-yl)benzamide
CID 833617
8-Bromo-2-phenyl-2,5-dihydro-pyrazolo[4,3-c]quinolin-3-one
CID 44384605
N-[4-(4-quinolin-3-ylpiperazin-1-yl)butyl]benzamide
CID 57873499
6-Bromo-2-phenylquinoline-4-carboxamide
CID 2803005
4-bromo-N-quinolin-7-ylbenzamide
CID 831408
Cystodytin J
CID 10403519
Quinolinium, 1-ethyl-4-(p-((p-((1-ethylpyridinium-4-yl)amino)phenayl)carbamoyl)anilino)-, dibromide
CID 3052452
2-phenyl-N-[(E)-pyridin-2-ylmethylideneamino]quinoline-4-carboxamide
CID 6884203

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-N-pyridin-4-ylquinoline-4-carboxamide?
The IUPAC name of 2-(3-bromophenyl)-N-pyridin-4-ylquinoline-4-carboxamide (CID 5182253) is 2-(3-bromophenyl)-N-pyridin-4-ylquinoline-4-carboxamide.
What is the SMILES notation for 2-(3-bromophenyl)-N-pyridin-4-ylquinoline-4-carboxamide?
The canonical SMILES for 2-(3-bromophenyl)-N-pyridin-4-ylquinoline-4-carboxamide is O=C(Nc1ccncc1)c1cc(-c2cccc(Br)c2)nc2ccccc12.
What is the InChIKey of 2-(3-bromophenyl)-N-pyridin-4-ylquinoline-4-carboxamide?
The InChIKey is KMNOKCDTIXDWOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14BrN3O/c22-15-5-3-4-14(12-15)20-13-18(17-6-1-2-7-19(17)25-20)21(26)24-16-8-10-23-11-9-16/h1-13H,(H,23,24,26).
What are the key properties of 2-(3-bromophenyl)-N-pyridin-4-ylquinoline-4-carboxamide?
2-(3-bromophenyl)-N-pyridin-4-ylquinoline-4-carboxamide has a molecular weight of 404.27 g/mol, XLogP of 5.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-N-pyridin-4-ylquinoline-4-carboxamide is sourced from PubChem (CID 5182253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).