2-cyclopropyl-N-piperidin-4-yl-N-propylquinoline-4-carboxamide;dihydrochloride

C21H29Cl2N3O — CID 119824385

IUPAC2-cyclopropyl-N-piperidin-4-yl-N-propylquinoline-4-carboxamide;dihydrochloride
SMILESCCCN(C(=O)c1cc(C2CC2)nc2ccccc12)C1CCNCC1.Cl.Cl
InChIInChI=1S/C21H27N3O.2ClH/c1-2-13-24(16-9-11-22-12-10-16)21(25)18-14-20(15-7-8-15)23-19-6-4-3-5-17(18)19;;/h3-6,14-16,22H,2,7-13H2,1H3;2*1H
InChIKeyICDXRSUZRIKHJH-UHFFFAOYSA-N
MW410.39 g/mol
LogP4.56
Rot. Bonds5

About 2-cyclopropyl-N-piperidin-4-yl-N-propylquinoline-4-carboxamide;dihydrochloride

2-cyclopropyl-N-piperidin-4-yl-N-propylquinoline-4-carboxamide;dihydrochloride (PubChem CID 119824385) has the molecular formula C21H29Cl2N3O and a molecular weight of 410.39 g/mol. Its IUPAC name is 2-cyclopropyl-N-piperidin-4-yl-N-propylquinoline-4-carboxamide;dihydrochloride.

Molecular Properties

Compound Name2-cyclopropyl-N-piperidin-4-yl-N-propylquinoline-4-carboxamide;dihydrochloride
PubChem CID119824385
Molecular FormulaC21H29Cl2N3O
Molecular Weight410.39 g/mol
Exact Mass409.17
IUPAC Name2-cyclopropyl-N-piperidin-4-yl-N-propylquinoline-4-carboxamide;dihydrochloride
SMILESCCCN(C(=O)c1cc(C2CC2)nc2ccccc12)C1CCNCC1.Cl.Cl
InChIInChI=1S/C21H27N3O.2ClH/c1-2-13-24(16-9-11-22-12-10-16)21(25)18-14-20(15-7-8-15)23-19-6-4-3-5-17(18)19;;/h3-6,14-16,22H,2,7-13H2,1H3;2*1H
InChIKeyICDXRSUZRIKHJH-UHFFFAOYSA-N
XLogP4.56
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.39
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenyl-N-piperidin-4-yl-N-propylquinoline-4-carboxamide
CID 119826187
2-cyclopropyl-6,8-dimethyl-N-piperidin-4-yl-N-propylquinoline-4-carboxamide;dihydrochloride
CID 119825097
N-piperidin-4-yl-N-propylnaphthalene-1-carboxamide
CID 119824426
2-piperidin-4-ylquinoline-4-carboxylic acid
CID 84635932
2-chloro-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119826015
N-cycloheptyl-2-cyclopropyl-N-methylquinoline-4-carboxamide
CID 55469564
2-cyclopropylquinoline-4-carbonyl chloride;hydrochloride
CID 87334108
5-phenyl-N-piperidin-4-yl-N-propylpyridine-3-carboxamide
CID 119824704
2-oxo-N-propyl-N-pyrrolidin-3-yl-1H-quinoline-4-carboxamide
CID 119531545
3-[(2-cyclopropylquinoline-4-carbonyl)-(2-methylpropyl)amino]propanoic acid
CID 119113350
N-(3-amino-2,2-dimethylpropyl)-2-cyclopropyl-N-methylquinoline-4-carboxamide;dihydrochloride
CID 119654354
5-methyl-1-phenyl-N-piperidin-4-yl-N-propylpyrazole-4-carboxamide;hydrochloride
CID 119825262

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-piperidin-4-yl-N-propylquinoline-4-carboxamide;dihydrochloride?
The IUPAC name of 2-cyclopropyl-N-piperidin-4-yl-N-propylquinoline-4-carboxamide;dihydrochloride (CID 119824385) is 2-cyclopropyl-N-piperidin-4-yl-N-propylquinoline-4-carboxamide;dihydrochloride.
What is the SMILES notation for 2-cyclopropyl-N-piperidin-4-yl-N-propylquinoline-4-carboxamide;dihydrochloride?
The canonical SMILES for 2-cyclopropyl-N-piperidin-4-yl-N-propylquinoline-4-carboxamide;dihydrochloride is CCCN(C(=O)c1cc(C2CC2)nc2ccccc12)C1CCNCC1.Cl.Cl.
What is the InChIKey of 2-cyclopropyl-N-piperidin-4-yl-N-propylquinoline-4-carboxamide;dihydrochloride?
The InChIKey is ICDXRSUZRIKHJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O.2ClH/c1-2-13-24(16-9-11-22-12-10-16)21(25)18-14-20(15-7-8-15)23-19-6-4-3-5-17(18)19;;/h3-6,14-16,22H,2,7-13H2,1H3;2*1H.
What are the key properties of 2-cyclopropyl-N-piperidin-4-yl-N-propylquinoline-4-carboxamide;dihydrochloride?
2-cyclopropyl-N-piperidin-4-yl-N-propylquinoline-4-carboxamide;dihydrochloride has a molecular weight of 410.39 g/mol, XLogP of 4.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-piperidin-4-yl-N-propylquinoline-4-carboxamide;dihydrochloride is sourced from PubChem (CID 119824385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).