7-bromo-2-methyl-N-(2-methylpiperidin-4-yl)quinoline-4-carboxamide

C17H20BrN3O — CID 120599071

IUPAC7-bromo-2-methyl-N-(2-methylpiperidin-4-yl)quinoline-4-carboxamide
SMILESCc1cc(C(=O)NC2CCNC(C)C2)c2ccc(Br)cc2n1
InChIInChI=1S/C17H20BrN3O/c1-10-7-13(5-6-19-10)21-17(22)15-8-11(2)20-16-9-12(18)3-4-14(15)16/h3-4,8-10,13,19H,5-7H2,1-2H3,(H,21,22)
InChIKeyLWQSXWSCJQGSHF-UHFFFAOYSA-N
MW362.27 g/mol
LogP3.18
Rot. Bonds2

About 7-bromo-2-methyl-N-(2-methylpiperidin-4-yl)quinoline-4-carboxamide

7-bromo-2-methyl-N-(2-methylpiperidin-4-yl)quinoline-4-carboxamide (PubChem CID 120599071) has the molecular formula C17H20BrN3O and a molecular weight of 362.27 g/mol. Its IUPAC name is 7-bromo-2-methyl-N-(2-methylpiperidin-4-yl)quinoline-4-carboxamide.

Molecular Properties

Compound Name7-bromo-2-methyl-N-(2-methylpiperidin-4-yl)quinoline-4-carboxamide
PubChem CID120599071
Molecular FormulaC17H20BrN3O
Molecular Weight362.27 g/mol
Exact Mass361.08
IUPAC Name7-bromo-2-methyl-N-(2-methylpiperidin-4-yl)quinoline-4-carboxamide
SMILESCc1cc(C(=O)NC2CCNC(C)C2)c2ccc(Br)cc2n1
InChIInChI=1S/C17H20BrN3O/c1-10-7-13(5-6-19-10)21-17(22)15-8-11(2)20-16-9-12(18)3-4-14(15)16/h3-4,8-10,13,19H,5-7H2,1-2H3,(H,21,22)
InChIKeyLWQSXWSCJQGSHF-UHFFFAOYSA-N
XLogP3.18
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.27
LogP ≤ 53.18
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
6-methyl-N-(2-methylpiperidin-4-yl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 120600467
2-bromo-4-methyl-N-(2-methylpiperidin-4-yl)benzamide
CID 106995466
2-cyclopropyl-N-(2-methylpiperidin-4-yl)quinoline-4-carboxamide;dihydrochloride
CID 120598132
5-bromo-N-(2-methylpiperidin-4-yl)-1H-indazole-3-carboxamide;hydrochloride
CID 120597988
3-bromo-N-(2-methylpiperidin-4-yl)benzamide
CID 106995558
2-methyl-N-[(3S)-pyrrolidin-3-yl]quinoline-4-carboxamide
CID 79689593
5-bromo-3-methyl-N-(2-methylpiperidin-4-yl)-1-benzofuran-2-carboxamide;hydrochloride
CID 120602547
3-bromo-2-methyl-N-(2-methylpiperidin-4-yl)benzamide
CID 106995279
7-bromo-2-methyl-N-(piperidin-3-ylmethyl)quinoline-4-carboxamide
CID 119462915
5-chloro-2-methyl-N-(2-methylpiperidin-4-yl)benzamide
CID 106995605
N-(2-methylpiperidin-4-yl)-2-pyridin-4-ylquinoline-4-carboxamide;dihydrochloride
CID 120598205

Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-methyl-N-(2-methylpiperidin-4-yl)quinoline-4-carboxamide?
The IUPAC name of 7-bromo-2-methyl-N-(2-methylpiperidin-4-yl)quinoline-4-carboxamide (CID 120599071) is 7-bromo-2-methyl-N-(2-methylpiperidin-4-yl)quinoline-4-carboxamide.
What is the SMILES notation for 7-bromo-2-methyl-N-(2-methylpiperidin-4-yl)quinoline-4-carboxamide?
The canonical SMILES for 7-bromo-2-methyl-N-(2-methylpiperidin-4-yl)quinoline-4-carboxamide is Cc1cc(C(=O)NC2CCNC(C)C2)c2ccc(Br)cc2n1.
What is the InChIKey of 7-bromo-2-methyl-N-(2-methylpiperidin-4-yl)quinoline-4-carboxamide?
The InChIKey is LWQSXWSCJQGSHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrN3O/c1-10-7-13(5-6-19-10)21-17(22)15-8-11(2)20-16-9-12(18)3-4-14(15)16/h3-4,8-10,13,19H,5-7H2,1-2H3,(H,21,22).
What are the key properties of 7-bromo-2-methyl-N-(2-methylpiperidin-4-yl)quinoline-4-carboxamide?
7-bromo-2-methyl-N-(2-methylpiperidin-4-yl)quinoline-4-carboxamide has a molecular weight of 362.27 g/mol, XLogP of 3.18, 2 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-(2-methylpiperidin-4-yl)quinoline-4-carboxamide is sourced from PubChem (CID 120599071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).