6-bromo-3-methyl-2-piperidin-1-ylquinoline-4-carboxamide

C16H18BrN3O — CID 163774945

IUPAC6-bromo-3-methyl-2-piperidin-1-ylquinoline-4-carboxamide
SMILESCc1c(N2CCCCC2)nc2ccc(Br)cc2c1C(N)=O
InChIInChI=1S/C16H18BrN3O/c1-10-14(15(18)21)12-9-11(17)5-6-13(12)19-16(10)20-7-3-2-4-8-20/h5-6,9H,2-4,7-8H2,1H3,(H2,18,21)
InChIKeyMJPFSUWLOWCXQO-UHFFFAOYSA-N
MW348.24 g/mol
LogP3.39
Rot. Bonds2

About 6-bromo-3-methyl-2-piperidin-1-ylquinoline-4-carboxamide

6-bromo-3-methyl-2-piperidin-1-ylquinoline-4-carboxamide (PubChem CID 163774945) has the molecular formula C16H18BrN3O and a molecular weight of 348.24 g/mol. Its IUPAC name is 6-bromo-3-methyl-2-piperidin-1-ylquinoline-4-carboxamide.

Molecular Properties

Compound Name6-bromo-3-methyl-2-piperidin-1-ylquinoline-4-carboxamide
PubChem CID163774945
Molecular FormulaC16H18BrN3O
Molecular Weight348.24 g/mol
Exact Mass347.06
IUPAC Name6-bromo-3-methyl-2-piperidin-1-ylquinoline-4-carboxamide
SMILESCc1c(N2CCCCC2)nc2ccc(Br)cc2c1C(N)=O
InChIInChI=1S/C16H18BrN3O/c1-10-14(15(18)21)12-9-11(17)5-6-13(12)19-16(10)20-7-3-2-4-8-20/h5-6,9H,2-4,7-8H2,1H3,(H2,18,21)
InChIKeyMJPFSUWLOWCXQO-UHFFFAOYSA-N
XLogP3.39
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.24
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-bromo-N-(4-chlorophenyl)-3-methyl-2-(1,4-oxazepan-4-yl)quinoline-4-carboxamide
CID 175333756
(4R)-5-[[2-(azepan-1-yl)-6-bromo-3-methylquinoline-4-carbonyl]amino]-4-(2-chlorophenyl)pentanoic acid
CID 162677917
(4S)-5-[(6-bromo-3-methyl-2-piperidin-1-ylquinoline-4-carbonyl)amino]-4-(5-fluoro-2-methylphenyl)pentanoic acid
CID 162677940
(4S)-5-[[2-(azepan-1-yl)-6-bromo-3-methylquinoline-4-carbonyl]amino]-4-(2-chloro-3,6-difluorophenyl)pentanoic acid
CID 162677991
6-bromo-2,3-dimethylquinoline-4-carboxylic acid
CID 43829324
6-bromo-N-[2-(6-chloro-2,3-difluorophenyl)-5-oxohexyl]-3-methyl-2-piperidin-1-ylquinoline-4-carboxamide
CID 142451479
sodium 5-[(6-bromo-3-methyl-2-pyrrolidin-1-ylquinoline-4-carbonyl)amino]-4-(2-chlorophenyl)pentanoate
CID 142451498
2-(azepan-1-yl)-4,6-dimethylpyridine-3-carboxamide
CID 17436858
6-bromo-N-(2,4-dichlorophenyl)-2-(3,3-difluoropiperidin-1-yl)-3-methylquinoline-4-carboxamide
CID 174989571
4-(azepan-1-yl)-7-bromo-2-methylquinazoline
CID 69428086
(4R)-5-[[6-bromo-2-(3,3-difluoropiperidin-1-yl)-3-methylquinoline-4-carbonyl]amino]-4-(2,6-dichlorophenyl)pentanoic acid
CID 162678021
6-bromo-2,3-dimethylquinoline-4-carbothioamide
CID 71390196

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-methyl-2-piperidin-1-ylquinoline-4-carboxamide?
The IUPAC name of 6-bromo-3-methyl-2-piperidin-1-ylquinoline-4-carboxamide (CID 163774945) is 6-bromo-3-methyl-2-piperidin-1-ylquinoline-4-carboxamide.
What is the SMILES notation for 6-bromo-3-methyl-2-piperidin-1-ylquinoline-4-carboxamide?
The canonical SMILES for 6-bromo-3-methyl-2-piperidin-1-ylquinoline-4-carboxamide is Cc1c(N2CCCCC2)nc2ccc(Br)cc2c1C(N)=O.
What is the InChIKey of 6-bromo-3-methyl-2-piperidin-1-ylquinoline-4-carboxamide?
The InChIKey is MJPFSUWLOWCXQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrN3O/c1-10-14(15(18)21)12-9-11(17)5-6-13(12)19-16(10)20-7-3-2-4-8-20/h5-6,9H,2-4,7-8H2,1H3,(H2,18,21).
What are the key properties of 6-bromo-3-methyl-2-piperidin-1-ylquinoline-4-carboxamide?
6-bromo-3-methyl-2-piperidin-1-ylquinoline-4-carboxamide has a molecular weight of 348.24 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-methyl-2-piperidin-1-ylquinoline-4-carboxamide is sourced from PubChem (CID 163774945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).