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

C19H25Cl2N3O — CID 120598132

IUPAC2-cyclopropyl-N-(2-methylpiperidin-4-yl)quinoline-4-carboxamide;dihydrochloride
SMILESCC1CC(NC(=O)c2cc(C3CC3)nc3ccccc23)CCN1.Cl.Cl
InChIInChI=1S/C19H23N3O.2ClH/c1-12-10-14(8-9-20-12)21-19(23)16-11-18(13-6-7-13)22-17-5-3-2-4-15(16)17;;/h2-5,11-14,20H,6-10H2,1H3,(H,21,23);2*1H
InChIKeyMLMPKPWVQMKOHI-UHFFFAOYSA-N
MW382.34 g/mol
LogP3.83
Rot. Bonds3

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

2-cyclopropyl-N-(2-methylpiperidin-4-yl)quinoline-4-carboxamide;dihydrochloride (PubChem CID 120598132) has the molecular formula C19H25Cl2N3O and a molecular weight of 382.34 g/mol. Its IUPAC name is 2-cyclopropyl-N-(2-methylpiperidin-4-yl)quinoline-4-carboxamide;dihydrochloride.

Molecular Properties

Compound Name2-cyclopropyl-N-(2-methylpiperidin-4-yl)quinoline-4-carboxamide;dihydrochloride
PubChem CID120598132
Molecular FormulaC19H25Cl2N3O
Molecular Weight382.34 g/mol
Exact Mass381.14
IUPAC Name2-cyclopropyl-N-(2-methylpiperidin-4-yl)quinoline-4-carboxamide;dihydrochloride
SMILESCC1CC(NC(=O)c2cc(C3CC3)nc3ccccc23)CCN1.Cl.Cl
InChIInChI=1S/C19H23N3O.2ClH/c1-12-10-14(8-9-20-12)21-19(23)16-11-18(13-6-7-13)22-17-5-3-2-4-15(16)17;;/h2-5,11-14,20H,6-10H2,1H3,(H,21,23);2*1H
InChIKeyMLMPKPWVQMKOHI-UHFFFAOYSA-N
XLogP3.83
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.34
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-6-fluoro-N-(2-methylpiperidin-4-yl)quinoline-4-carboxamide
CID 120602484
N-(2-methylpiperidin-4-yl)-2-pyridin-4-ylquinoline-4-carboxamide;dihydrochloride
CID 120598205
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-cyclopropylquinoline-4-carboxamide;dihydrochloride
CID 119456987
2-cyclopropylquinoline-4-carbonyl chloride;hydrochloride
CID 87334108
2-cyclopropyl-N-(pyrrolidin-2-ylmethyl)quinoline-4-carboxamide;dihydrochloride
CID 119511849
2-cyclopropyl-N-methylsulfonylquinoline-4-carboxamide
CID 146154924
(2-cyclopropylquinolin-4-yl)-(2,3-dimethylpiperazin-1-yl)methanone;dihydrochloride
CID 120569385
7-bromo-2-methyl-N-(2-methylpiperidin-4-yl)quinoline-4-carboxamide
CID 120599071
N-(2-methylpiperidin-4-yl)-1-benzofuran-3-carboxamide;hydrochloride
CID 120602513
N-(2-methylpiperidin-4-yl)-3-phenyl-1H-pyrazole-5-carboxamide
CID 120599049
2-methyl-N-[(3S)-pyrrolidin-3-yl]quinoline-4-carboxamide
CID 79689593
2-iodo-N-(2-methylpiperidin-4-yl)benzamide
CID 106995591

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-(2-methylpiperidin-4-yl)quinoline-4-carboxamide;dihydrochloride?
The IUPAC name of 2-cyclopropyl-N-(2-methylpiperidin-4-yl)quinoline-4-carboxamide;dihydrochloride (CID 120598132) is 2-cyclopropyl-N-(2-methylpiperidin-4-yl)quinoline-4-carboxamide;dihydrochloride.
What is the SMILES notation for 2-cyclopropyl-N-(2-methylpiperidin-4-yl)quinoline-4-carboxamide;dihydrochloride?
The canonical SMILES for 2-cyclopropyl-N-(2-methylpiperidin-4-yl)quinoline-4-carboxamide;dihydrochloride is CC1CC(NC(=O)c2cc(C3CC3)nc3ccccc23)CCN1.Cl.Cl.
What is the InChIKey of 2-cyclopropyl-N-(2-methylpiperidin-4-yl)quinoline-4-carboxamide;dihydrochloride?
The InChIKey is MLMPKPWVQMKOHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O.2ClH/c1-12-10-14(8-9-20-12)21-19(23)16-11-18(13-6-7-13)22-17-5-3-2-4-15(16)17;;/h2-5,11-14,20H,6-10H2,1H3,(H,21,23);2*1H.
What are the key properties of 2-cyclopropyl-N-(2-methylpiperidin-4-yl)quinoline-4-carboxamide;dihydrochloride?
2-cyclopropyl-N-(2-methylpiperidin-4-yl)quinoline-4-carboxamide;dihydrochloride has a molecular weight of 382.34 g/mol, XLogP of 3.83, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-(2-methylpiperidin-4-yl)quinoline-4-carboxamide;dihydrochloride is sourced from PubChem (CID 120598132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).