2-cyclopropyl-6,8-dimethyl-N-piperidin-4-yl-N-propylquinoline-4-carboxamide;dihydrochloride

C23H33Cl2N3O — CID 119825097

IUPAC2-cyclopropyl-6,8-dimethyl-N-piperidin-4-yl-N-propylquinoline-4-carboxamide;dihydrochloride
SMILESCCCN(C(=O)c1cc(C2CC2)nc2c(C)cc(C)cc12)C1CCNCC1.Cl.Cl
InChIInChI=1S/C23H31N3O.2ClH/c1-4-11-26(18-7-9-24-10-8-18)23(27)20-14-21(17-5-6-17)25-22-16(3)12-15(2)13-19(20)22;;/h12-14,17-18,24H,4-11H2,1-3H3;2*1H
InChIKeyONEIMJDWIREHLO-UHFFFAOYSA-N
MW438.44 g/mol
LogP5.18
Rot. Bonds5

About 2-cyclopropyl-6,8-dimethyl-N-piperidin-4-yl-N-propylquinoline-4-carboxamide;dihydrochloride

2-cyclopropyl-6,8-dimethyl-N-piperidin-4-yl-N-propylquinoline-4-carboxamide;dihydrochloride (PubChem CID 119825097) has the molecular formula C23H33Cl2N3O and a molecular weight of 438.44 g/mol. Its IUPAC name is 2-cyclopropyl-6,8-dimethyl-N-piperidin-4-yl-N-propylquinoline-4-carboxamide;dihydrochloride.

Molecular Properties

Compound Name2-cyclopropyl-6,8-dimethyl-N-piperidin-4-yl-N-propylquinoline-4-carboxamide;dihydrochloride
PubChem CID119825097
Molecular FormulaC23H33Cl2N3O
Molecular Weight438.44 g/mol
Exact Mass437.20
IUPAC Name2-cyclopropyl-6,8-dimethyl-N-piperidin-4-yl-N-propylquinoline-4-carboxamide;dihydrochloride
SMILESCCCN(C(=O)c1cc(C2CC2)nc2c(C)cc(C)cc12)C1CCNCC1.Cl.Cl
InChIInChI=1S/C23H31N3O.2ClH/c1-4-11-26(18-7-9-24-10-8-18)23(27)20-14-21(17-5-6-17)25-22-16(3)12-15(2)13-19(20)22;;/h12-14,17-18,24H,4-11H2,1-3H3;2*1H
InChIKeyONEIMJDWIREHLO-UHFFFAOYSA-N
XLogP5.18
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.44
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-N-piperidin-4-yl-N-propylquinoline-4-carboxamide;dihydrochloride
CID 119824385
3,5-dimethyl-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119824323
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(2-cyclopropyl-6,8-dimethylquinolin-4-yl)methanone;dihydrochloride
CID 120656910
2-phenyl-N-piperidin-4-yl-N-propylquinoline-4-carboxamide
CID 119826187
2,5-dimethyl-N-propyl-N-pyrrolidin-3-ylbenzamide
CID 60805843
N-piperidin-4-yl-N-propylnaphthalene-1-carboxamide
CID 119824426
2,5-dichloro-N-piperidin-4-yl-N-propylthiophene-3-carboxamide;hydrochloride
CID 119824416
2-chloro-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119826015
2-bromo-3-methyl-N-piperidin-4-yl-N-propylbenzamide
CID 107983067
2-chloro-5-methylsulfanyl-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119825165
3-methoxy-4-methyl-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119823113
3-(2,4-dimethylphenoxy)-N-piperidin-4-yl-N-propylpropanamide;hydrochloride
CID 119824893

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6,8-dimethyl-N-piperidin-4-yl-N-propylquinoline-4-carboxamide;dihydrochloride?
The IUPAC name of 2-cyclopropyl-6,8-dimethyl-N-piperidin-4-yl-N-propylquinoline-4-carboxamide;dihydrochloride (CID 119825097) is 2-cyclopropyl-6,8-dimethyl-N-piperidin-4-yl-N-propylquinoline-4-carboxamide;dihydrochloride.
What is the SMILES notation for 2-cyclopropyl-6,8-dimethyl-N-piperidin-4-yl-N-propylquinoline-4-carboxamide;dihydrochloride?
The canonical SMILES for 2-cyclopropyl-6,8-dimethyl-N-piperidin-4-yl-N-propylquinoline-4-carboxamide;dihydrochloride is CCCN(C(=O)c1cc(C2CC2)nc2c(C)cc(C)cc12)C1CCNCC1.Cl.Cl.
What is the InChIKey of 2-cyclopropyl-6,8-dimethyl-N-piperidin-4-yl-N-propylquinoline-4-carboxamide;dihydrochloride?
The InChIKey is ONEIMJDWIREHLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O.2ClH/c1-4-11-26(18-7-9-24-10-8-18)23(27)20-14-21(17-5-6-17)25-22-16(3)12-15(2)13-19(20)22;;/h12-14,17-18,24H,4-11H2,1-3H3;2*1H.
What are the key properties of 2-cyclopropyl-6,8-dimethyl-N-piperidin-4-yl-N-propylquinoline-4-carboxamide;dihydrochloride?
2-cyclopropyl-6,8-dimethyl-N-piperidin-4-yl-N-propylquinoline-4-carboxamide;dihydrochloride has a molecular weight of 438.44 g/mol, XLogP of 5.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6,8-dimethyl-N-piperidin-4-yl-N-propylquinoline-4-carboxamide;dihydrochloride is sourced from PubChem (CID 119825097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).