7-bromo-2-methyl-N-(piperidin-3-ylmethyl)quinoline-4-carboxamide

C17H20BrN3O — CID 119462915

IUPAC7-bromo-2-methyl-N-(piperidin-3-ylmethyl)quinoline-4-carboxamide
SMILESCc1cc(C(=O)NCC2CCCNC2)c2ccc(Br)cc2n1
InChIInChI=1S/C17H20BrN3O/c1-11-7-15(14-5-4-13(18)8-16(14)21-11)17(22)20-10-12-3-2-6-19-9-12/h4-5,7-8,12,19H,2-3,6,9-10H2,1H3,(H,20,22)
InChIKeyGFHIHVOAZGQBEM-UHFFFAOYSA-N
MW362.27 g/mol
LogP3.04
Rot. Bonds3

About 7-bromo-2-methyl-N-(piperidin-3-ylmethyl)quinoline-4-carboxamide

7-bromo-2-methyl-N-(piperidin-3-ylmethyl)quinoline-4-carboxamide (PubChem CID 119462915) has the molecular formula C17H20BrN3O and a molecular weight of 362.27 g/mol. Its IUPAC name is 7-bromo-2-methyl-N-(piperidin-3-ylmethyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name7-bromo-2-methyl-N-(piperidin-3-ylmethyl)quinoline-4-carboxamide
PubChem CID119462915
Molecular FormulaC17H20BrN3O
Molecular Weight362.27 g/mol
Exact Mass361.08
IUPAC Name7-bromo-2-methyl-N-(piperidin-3-ylmethyl)quinoline-4-carboxamide
SMILESCc1cc(C(=O)NCC2CCCNC2)c2ccc(Br)cc2n1
InChIInChI=1S/C17H20BrN3O/c1-11-7-15(14-5-4-13(18)8-16(14)21-11)17(22)20-10-12-3-2-6-19-9-12/h4-5,7-8,12,19H,2-3,6,9-10H2,1H3,(H,20,22)
InChIKeyGFHIHVOAZGQBEM-UHFFFAOYSA-N
XLogP3.04
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.27
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

7-bromo-2-methyl-N-(2-methylpiperidin-3-yl)quinoline-4-carboxamide;dihydrochloride
CID 120574506
1-(4-bromophenyl)-5-methyl-N-(piperidin-3-ylmethyl)pyrazole-4-carboxamide
CID 119461896
6-methyl-N-(piperidin-3-ylmethyl)-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride
CID 119462057
1-butan-2-yl-6-methyl-N-(piperidin-3-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 119460822
7-bromo-N-[(2R)-2-(ethylamino)propyl]-2-methylquinoline-4-carboxamide;dihydrochloride
CID 120651332
7-methoxy-2-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]quinoline-4-carboxamide
CID 119071112
5-bromo-2-methyl-N-(2-piperidin-3-ylethyl)benzamide
CID 65311677
2-methyl-N-(piperidin-3-ylmethyl)quinoline-8-carboxamide
CID 119460242
5-chloro-2-methyl-N-(piperidin-3-ylmethyl)benzamide
CID 82883859
7-bromo-2-methyl-N-(2-methylpiperidin-4-yl)quinoline-4-carboxamide
CID 120599071
2-iodo-5-methyl-N-(piperidin-3-ylmethyl)benzamide
CID 119461515
6-bromo-2-methyl-N-(oxolan-2-ylmethyl)quinoline-4-carboxamide
CID 46291470

Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-methyl-N-(piperidin-3-ylmethyl)quinoline-4-carboxamide?
The IUPAC name of 7-bromo-2-methyl-N-(piperidin-3-ylmethyl)quinoline-4-carboxamide (CID 119462915) is 7-bromo-2-methyl-N-(piperidin-3-ylmethyl)quinoline-4-carboxamide.
What is the SMILES notation for 7-bromo-2-methyl-N-(piperidin-3-ylmethyl)quinoline-4-carboxamide?
The canonical SMILES for 7-bromo-2-methyl-N-(piperidin-3-ylmethyl)quinoline-4-carboxamide is Cc1cc(C(=O)NCC2CCCNC2)c2ccc(Br)cc2n1.
What is the InChIKey of 7-bromo-2-methyl-N-(piperidin-3-ylmethyl)quinoline-4-carboxamide?
The InChIKey is GFHIHVOAZGQBEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrN3O/c1-11-7-15(14-5-4-13(18)8-16(14)21-11)17(22)20-10-12-3-2-6-19-9-12/h4-5,7-8,12,19H,2-3,6,9-10H2,1H3,(H,20,22).
What are the key properties of 7-bromo-2-methyl-N-(piperidin-3-ylmethyl)quinoline-4-carboxamide?
7-bromo-2-methyl-N-(piperidin-3-ylmethyl)quinoline-4-carboxamide has a molecular weight of 362.27 g/mol, XLogP of 3.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-methyl-N-(piperidin-3-ylmethyl)quinoline-4-carboxamide is sourced from PubChem (CID 119462915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).