6-bromo-N,2-dipyridin-3-ylquinoline-4-carboxamide

C20H13BrN4O — CID 1261800

IUPAC6-bromo-N,2-dipyridin-3-ylquinoline-4-carboxamide
SMILESO=C(Nc1cccnc1)c1cc(-c2cccnc2)nc2ccc(Br)cc12
InChIInChI=1S/C20H13BrN4O/c21-14-5-6-18-16(9-14)17(20(26)24-15-4-2-8-23-12-15)10-19(25-18)13-3-1-7-22-11-13/h1-12H,(H,24,26)
InChIKeyFTNSRSTZEPZAOA-UHFFFAOYSA-N
MW405.26 g/mol
LogP4.71
Rot. Bonds3

About 6-bromo-N,2-dipyridin-3-ylquinoline-4-carboxamide

6-bromo-N,2-dipyridin-3-ylquinoline-4-carboxamide (PubChem CID 1261800) has the molecular formula C20H13BrN4O and a molecular weight of 405.26 g/mol. Its IUPAC name is 6-bromo-N,2-dipyridin-3-ylquinoline-4-carboxamide.

Molecular Properties

Compound Name6-bromo-N,2-dipyridin-3-ylquinoline-4-carboxamide
PubChem CID1261800
Molecular FormulaC20H13BrN4O
Molecular Weight405.26 g/mol
Exact Mass404.03
IUPAC Name6-bromo-N,2-dipyridin-3-ylquinoline-4-carboxamide
SMILESO=C(Nc1cccnc1)c1cc(-c2cccnc2)nc2ccc(Br)cc12
InChIInChI=1S/C20H13BrN4O/c21-14-5-6-18-16(9-14)17(20(26)24-15-4-2-8-23-12-15)10-19(25-18)13-3-1-7-22-11-13/h1-12H,(H,24,26)
InChIKeyFTNSRSTZEPZAOA-UHFFFAOYSA-N
XLogP4.71
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.26
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 6538897
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4-bromo-N-quinolin-7-ylbenzamide
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2-((Pyridin-4-ylmethyl)amino)-N-(quinolin-3-yl)benzamide
CID 23644840
2-Bromo-N-quinolin-6-yl-benzamide
CID 813516
6-methyl-N,2-di-4-pyridinyl-4-quinolinecarboxamide
CID 899146
3-bromo-4-methyl-N-quinolin-8-ylbenzamide
CID 902789
3-bromo-N-quinolin-5-ylbenzamide
CID 930554
N-(2-tert-butylphenyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 2386554
4-(4-Benzylpiperazine-1-carbonyl)-2-(pyridin-4-yl)quinoline
CID 4261993
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CID 995077

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N,2-dipyridin-3-ylquinoline-4-carboxamide?
The IUPAC name of 6-bromo-N,2-dipyridin-3-ylquinoline-4-carboxamide (CID 1261800) is 6-bromo-N,2-dipyridin-3-ylquinoline-4-carboxamide.
What is the SMILES notation for 6-bromo-N,2-dipyridin-3-ylquinoline-4-carboxamide?
The canonical SMILES for 6-bromo-N,2-dipyridin-3-ylquinoline-4-carboxamide is O=C(Nc1cccnc1)c1cc(-c2cccnc2)nc2ccc(Br)cc12.
What is the InChIKey of 6-bromo-N,2-dipyridin-3-ylquinoline-4-carboxamide?
The InChIKey is FTNSRSTZEPZAOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13BrN4O/c21-14-5-6-18-16(9-14)17(20(26)24-15-4-2-8-23-12-15)10-19(25-18)13-3-1-7-22-11-13/h1-12H,(H,24,26).
What are the key properties of 6-bromo-N,2-dipyridin-3-ylquinoline-4-carboxamide?
6-bromo-N,2-dipyridin-3-ylquinoline-4-carboxamide has a molecular weight of 405.26 g/mol, XLogP of 4.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N,2-dipyridin-3-ylquinoline-4-carboxamide is sourced from PubChem (CID 1261800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).