6-bromo-N-[(3-fluoro-4-pyridin-3-ylphenyl)methyl]-N-methyl-2-pyridin-4-ylquinoline-4-carboxamide

C28H20BrFN4O — CID 155968260

IUPAC6-bromo-N-[(3-fluoro-4-pyridin-3-ylphenyl)methyl]-N-methyl-2-pyridin-4-ylquinoline-4-carboxamide
SMILESCN(Cc1ccc(-c2cccnc2)c(F)c1)C(=O)c1cc(-c2ccncc2)nc2ccc(Br)cc12
InChIInChI=1S/C28H20BrFN4O/c1-34(17-18-4-6-22(25(30)13-18)20-3-2-10-32-16-20)28(35)24-15-27(19-8-11-31-12-9-19)33-26-7-5-21(29)14-23(24)26/h2-16H,17H2,1H3
InChIKeyUCTFQYLGBPAGRD-UHFFFAOYSA-N
MW527.40 g/mol
LogP6.53
Rot. Bonds5

About 6-bromo-N-[(3-fluoro-4-pyridin-3-ylphenyl)methyl]-N-methyl-2-pyridin-4-ylquinoline-4-carboxamide

6-bromo-N-[(3-fluoro-4-pyridin-3-ylphenyl)methyl]-N-methyl-2-pyridin-4-ylquinoline-4-carboxamide (PubChem CID 155968260) has the molecular formula C28H20BrFN4O and a molecular weight of 527.40 g/mol. Its IUPAC name is 6-bromo-N-[(3-fluoro-4-pyridin-3-ylphenyl)methyl]-N-methyl-2-pyridin-4-ylquinoline-4-carboxamide.

Molecular Properties

Compound Name6-bromo-N-[(3-fluoro-4-pyridin-3-ylphenyl)methyl]-N-methyl-2-pyridin-4-ylquinoline-4-carboxamide
PubChem CID155968260
Molecular FormulaC28H20BrFN4O
Molecular Weight527.40 g/mol
Exact Mass526.08
IUPAC Name6-bromo-N-[(3-fluoro-4-pyridin-3-ylphenyl)methyl]-N-methyl-2-pyridin-4-ylquinoline-4-carboxamide
SMILESCN(Cc1ccc(-c2cccnc2)c(F)c1)C(=O)c1cc(-c2ccncc2)nc2ccc(Br)cc12
InChIInChI=1S/C28H20BrFN4O/c1-34(17-18-4-6-22(25(30)13-18)20-3-2-10-32-16-20)28(35)24-15-27(19-8-11-31-12-9-19)33-26-7-5-21(29)14-23(24)26/h2-16H,17H2,1H3
InChIKeyUCTFQYLGBPAGRD-UHFFFAOYSA-N
XLogP6.53
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.40
LogP ≤ 56.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-bromo-N-[(3-fluoro-4-pyridin-3-ylphenyl)methyl]-N-methyl-2-pyridin-4-ylquinoline-4-carboxamide with MolForge

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Related Compounds

6-bromo-2-pyridin-3-ylquinoline-4-carboxylic acid
CID 694704
N-[(4-chlorophenyl)methyl]-N-methyl-2-phenyl-1,6-naphthyridine-4-carboxamide
CID 140502967
N-[(4-cyanophenyl)methyl]-N-methyl-2-pyridin-3-ylquinoline-4-carboxamide
CID 39858915
4-bromo-2-fluoro-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 43401146
2-[(6-bromo-2-pyridin-4-ylquinoline-4-carbonyl)amino]ethyl-dimethylazanium
CID 7472552
N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-pyridin-4-ylquinoline-4-carboxamide
CID 30278783
methyl 6-bromo-2-pyridin-4-ylquinoline-4-carboxylate
CID 17255626
6-bromo-7-fluoro-2-pyridin-3-ylquinoline-4-carboxylic acid
CID 61357543
N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 8834218
4-bromo-N-[(3,4-difluorophenyl)methyl]-2-fluoro-N-methylbenzamide
CID 60728865
3-fluoro-N-methyl-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide
CID 113240917
N-methyl-2-phenyl-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide
CID 27827840

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[(3-fluoro-4-pyridin-3-ylphenyl)methyl]-N-methyl-2-pyridin-4-ylquinoline-4-carboxamide?
The IUPAC name of 6-bromo-N-[(3-fluoro-4-pyridin-3-ylphenyl)methyl]-N-methyl-2-pyridin-4-ylquinoline-4-carboxamide (CID 155968260) is 6-bromo-N-[(3-fluoro-4-pyridin-3-ylphenyl)methyl]-N-methyl-2-pyridin-4-ylquinoline-4-carboxamide.
What is the SMILES notation for 6-bromo-N-[(3-fluoro-4-pyridin-3-ylphenyl)methyl]-N-methyl-2-pyridin-4-ylquinoline-4-carboxamide?
The canonical SMILES for 6-bromo-N-[(3-fluoro-4-pyridin-3-ylphenyl)methyl]-N-methyl-2-pyridin-4-ylquinoline-4-carboxamide is CN(Cc1ccc(-c2cccnc2)c(F)c1)C(=O)c1cc(-c2ccncc2)nc2ccc(Br)cc12.
What is the InChIKey of 6-bromo-N-[(3-fluoro-4-pyridin-3-ylphenyl)methyl]-N-methyl-2-pyridin-4-ylquinoline-4-carboxamide?
The InChIKey is UCTFQYLGBPAGRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20BrFN4O/c1-34(17-18-4-6-22(25(30)13-18)20-3-2-10-32-16-20)28(35)24-15-27(19-8-11-31-12-9-19)33-26-7-5-21(29)14-23(24)26/h2-16H,17H2,1H3.
What are the key properties of 6-bromo-N-[(3-fluoro-4-pyridin-3-ylphenyl)methyl]-N-methyl-2-pyridin-4-ylquinoline-4-carboxamide?
6-bromo-N-[(3-fluoro-4-pyridin-3-ylphenyl)methyl]-N-methyl-2-pyridin-4-ylquinoline-4-carboxamide has a molecular weight of 527.40 g/mol, XLogP of 6.53, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[(3-fluoro-4-pyridin-3-ylphenyl)methyl]-N-methyl-2-pyridin-4-ylquinoline-4-carboxamide is sourced from PubChem (CID 155968260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).