7-bromo-2-methyl-N-(2-methylpiperidin-3-yl)quinoline-4-carboxamide;dihydrochloride

C17H22BrCl2N3O — CID 120574506

IUPAC7-bromo-2-methyl-N-(2-methylpiperidin-3-yl)quinoline-4-carboxamide;dihydrochloride
SMILESCc1cc(C(=O)NC2CCCNC2C)c2ccc(Br)cc2n1.Cl.Cl
InChIInChI=1S/C17H20BrN3O.2ClH/c1-10-8-14(13-6-5-12(18)9-16(13)20-10)17(22)21-15-4-3-7-19-11(15)2;;/h5-6,8-9,11,15,19H,3-4,7H2,1-2H3,(H,21,22);2*1H
InChIKeyGKHHUGKFVUZPIE-UHFFFAOYSA-N
MW435.19 g/mol
LogP4.02
Rot. Bonds2

About 7-bromo-2-methyl-N-(2-methylpiperidin-3-yl)quinoline-4-carboxamide;dihydrochloride

7-bromo-2-methyl-N-(2-methylpiperidin-3-yl)quinoline-4-carboxamide;dihydrochloride (PubChem CID 120574506) has the molecular formula C17H22BrCl2N3O and a molecular weight of 435.19 g/mol. Its IUPAC name is 7-bromo-2-methyl-N-(2-methylpiperidin-3-yl)quinoline-4-carboxamide;dihydrochloride.

Molecular Properties

Compound Name7-bromo-2-methyl-N-(2-methylpiperidin-3-yl)quinoline-4-carboxamide;dihydrochloride
PubChem CID120574506
Molecular FormulaC17H22BrCl2N3O
Molecular Weight435.19 g/mol
Exact Mass433.03
IUPAC Name7-bromo-2-methyl-N-(2-methylpiperidin-3-yl)quinoline-4-carboxamide;dihydrochloride
SMILESCc1cc(C(=O)NC2CCCNC2C)c2ccc(Br)cc2n1.Cl.Cl
InChIInChI=1S/C17H20BrN3O.2ClH/c1-10-8-14(13-6-5-12(18)9-16(13)20-10)17(22)21-15-4-3-7-19-11(15)2;;/h5-6,8-9,11,15,19H,3-4,7H2,1-2H3,(H,21,22);2*1H
InChIKeyGKHHUGKFVUZPIE-UHFFFAOYSA-N
XLogP4.02
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.19
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

7-bromo-2-methyl-N-(2-methylpiperidin-4-yl)quinoline-4-carboxamide
CID 120599071
5-bromo-2-fluoro-N-(2-methylpiperidin-3-yl)benzamide
CID 114694893
7-bromo-2-methyl-N-(piperidin-3-ylmethyl)quinoline-4-carboxamide
CID 119462915
4-bromo-N-(2-methylpiperidin-3-yl)-2-propan-2-yloxybenzamide;hydrochloride
CID 120573474
3,6-dimethyl-N-(2-methylpiperidin-3-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride
CID 120574234
7-fluoro-2-methyl-N-(2-methylpiperidin-3-yl)quinoline-3-carboxamide
CID 120575715
7-methoxy-2-methyl-N-(2-methylpiperidin-3-yl)quinoline-3-carboxamide;hydrochloride
CID 120573600
3-bromo-4-methyl-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride
CID 120575414
2-(4-bromophenyl)-2-methyl-N-(2-methylpiperidin-3-yl)propanamide;hydrochloride
CID 120575309
2-bromo-4-chloro-N-(2-methylpiperidin-3-yl)benzamide
CID 106813439
2-methyl-N-(2-methylpiperidin-3-yl)-4-propan-2-ylpyrimidine-5-carboxamide;hydrochloride
CID 120575792
5,7-dimethyl-N-(2-methylpiperidin-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 120575694

Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-methyl-N-(2-methylpiperidin-3-yl)quinoline-4-carboxamide;dihydrochloride?
The IUPAC name of 7-bromo-2-methyl-N-(2-methylpiperidin-3-yl)quinoline-4-carboxamide;dihydrochloride (CID 120574506) is 7-bromo-2-methyl-N-(2-methylpiperidin-3-yl)quinoline-4-carboxamide;dihydrochloride.
What is the SMILES notation for 7-bromo-2-methyl-N-(2-methylpiperidin-3-yl)quinoline-4-carboxamide;dihydrochloride?
The canonical SMILES for 7-bromo-2-methyl-N-(2-methylpiperidin-3-yl)quinoline-4-carboxamide;dihydrochloride is Cc1cc(C(=O)NC2CCCNC2C)c2ccc(Br)cc2n1.Cl.Cl.
What is the InChIKey of 7-bromo-2-methyl-N-(2-methylpiperidin-3-yl)quinoline-4-carboxamide;dihydrochloride?
The InChIKey is GKHHUGKFVUZPIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrN3O.2ClH/c1-10-8-14(13-6-5-12(18)9-16(13)20-10)17(22)21-15-4-3-7-19-11(15)2;;/h5-6,8-9,11,15,19H,3-4,7H2,1-2H3,(H,21,22);2*1H.
What are the key properties of 7-bromo-2-methyl-N-(2-methylpiperidin-3-yl)quinoline-4-carboxamide;dihydrochloride?
7-bromo-2-methyl-N-(2-methylpiperidin-3-yl)quinoline-4-carboxamide;dihydrochloride has a molecular weight of 435.19 g/mol, XLogP of 4.02, 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-3-yl)quinoline-4-carboxamide;dihydrochloride is sourced from PubChem (CID 120574506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).