2-methyl-N-(2-methylpiperidin-4-yl)quinoline-8-carboxamide;dihydrochloride

C17H23Cl2N3O — CID 120599721

IUPAC2-methyl-N-(2-methylpiperidin-4-yl)quinoline-8-carboxamide;dihydrochloride
SMILESCc1ccc2cccc(C(=O)NC3CCNC(C)C3)c2n1.Cl.Cl
InChIInChI=1S/C17H21N3O.2ClH/c1-11-6-7-13-4-3-5-15(16(13)19-11)17(21)20-14-8-9-18-12(2)10-14;;/h3-7,12,14,18H,8-10H2,1-2H3,(H,20,21);2*1H
InChIKeyORLAGONCCRZQES-UHFFFAOYSA-N
MW356.30 g/mol
LogP3.26
Rot. Bonds2

About 2-methyl-N-(2-methylpiperidin-4-yl)quinoline-8-carboxamide;dihydrochloride

2-methyl-N-(2-methylpiperidin-4-yl)quinoline-8-carboxamide;dihydrochloride (PubChem CID 120599721) has the molecular formula C17H23Cl2N3O and a molecular weight of 356.30 g/mol. Its IUPAC name is 2-methyl-N-(2-methylpiperidin-4-yl)quinoline-8-carboxamide;dihydrochloride.

Molecular Properties

Compound Name2-methyl-N-(2-methylpiperidin-4-yl)quinoline-8-carboxamide;dihydrochloride
PubChem CID120599721
Molecular FormulaC17H23Cl2N3O
Molecular Weight356.30 g/mol
Exact Mass355.12
IUPAC Name2-methyl-N-(2-methylpiperidin-4-yl)quinoline-8-carboxamide;dihydrochloride
SMILESCc1ccc2cccc(C(=O)NC3CCNC(C)C3)c2n1.Cl.Cl
InChIInChI=1S/C17H21N3O.2ClH/c1-11-6-7-13-4-3-5-15(16(13)19-11)17(21)20-14-8-9-18-12(2)10-14;;/h3-7,12,14,18H,8-10H2,1-2H3,(H,20,21);2*1H
InChIKeyORLAGONCCRZQES-UHFFFAOYSA-N
XLogP3.26
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.30
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-piperidin-4-ylquinoline-8-carboxamide;dihydrochloride
CID 119386176
3-bromo-2-methyl-N-(2-methylpiperidin-4-yl)benzamide
CID 106995279
2-iodo-N-(2-methylpiperidin-4-yl)benzamide
CID 106995591
2-methyl-N-(2-methylpiperidin-4-yl)-3-nitrobenzamide;hydrochloride
CID 120602042
3-methyl-N-(2-methylpiperidin-4-yl)-1-phenylpyrazole-4-carboxamide;hydrochloride
CID 120598744
2-methyl-N-(2-methylpiperidin-4-yl)-1H-pyrrole-3-carboxamide
CID 120599004
2-cyclopropyl-N-(2-methylpiperidin-4-yl)quinoline-4-carboxamide;dihydrochloride
CID 120598132
2-methyl-3-(3-methylbutan-2-ylamino)-N-(2-methylpiperidin-4-yl)benzamide
CID 120602087
5-chloro-2-methyl-N-(2-methylpiperidin-4-yl)benzamide
CID 106995605
2,6-difluoro-N-(2-methylpiperidin-4-yl)benzamide
CID 106995199
2,5-dimethyl-N-(2-methylpiperidin-4-yl)furan-3-carboxamide;hydrochloride
CID 120600731
N-(2-methylpiperidin-4-yl)-2-(propan-2-ylamino)pyridine-3-carboxamide
CID 120602068

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-methylpiperidin-4-yl)quinoline-8-carboxamide;dihydrochloride?
The IUPAC name of 2-methyl-N-(2-methylpiperidin-4-yl)quinoline-8-carboxamide;dihydrochloride (CID 120599721) is 2-methyl-N-(2-methylpiperidin-4-yl)quinoline-8-carboxamide;dihydrochloride.
What is the SMILES notation for 2-methyl-N-(2-methylpiperidin-4-yl)quinoline-8-carboxamide;dihydrochloride?
The canonical SMILES for 2-methyl-N-(2-methylpiperidin-4-yl)quinoline-8-carboxamide;dihydrochloride is Cc1ccc2cccc(C(=O)NC3CCNC(C)C3)c2n1.Cl.Cl.
What is the InChIKey of 2-methyl-N-(2-methylpiperidin-4-yl)quinoline-8-carboxamide;dihydrochloride?
The InChIKey is ORLAGONCCRZQES-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O.2ClH/c1-11-6-7-13-4-3-5-15(16(13)19-11)17(21)20-14-8-9-18-12(2)10-14;;/h3-7,12,14,18H,8-10H2,1-2H3,(H,20,21);2*1H.
What are the key properties of 2-methyl-N-(2-methylpiperidin-4-yl)quinoline-8-carboxamide;dihydrochloride?
2-methyl-N-(2-methylpiperidin-4-yl)quinoline-8-carboxamide;dihydrochloride has a molecular weight of 356.30 g/mol, XLogP of 3.26, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-methylpiperidin-4-yl)quinoline-8-carboxamide;dihydrochloride is sourced from PubChem (CID 120599721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).