N-cyclopropyl-2-(2-phenylpyrrolidin-1-yl)quinoline-4-carboxamide

C23H23N3O — CID 112812673

IUPACN-cyclopropyl-2-(2-phenylpyrrolidin-1-yl)quinoline-4-carboxamide
SMILESO=C(NC1CC1)c1cc(N2CCCC2c2ccccc2)nc2ccccc12
InChIInChI=1S/C23H23N3O/c27-23(24-17-12-13-17)19-15-22(25-20-10-5-4-9-18(19)20)26-14-6-11-21(26)16-7-2-1-3-8-16/h1-5,7-10,15,17,21H,6,11-14H2,(H,24,27)
InChIKeyRCDSBORMIBYVBF-UHFFFAOYSA-N
MW357.46 g/mol
LogP4.47
Rot. Bonds4

About N-cyclopropyl-2-(2-phenylpyrrolidin-1-yl)quinoline-4-carboxamide

N-cyclopropyl-2-(2-phenylpyrrolidin-1-yl)quinoline-4-carboxamide (PubChem CID 112812673) has the molecular formula C23H23N3O and a molecular weight of 357.46 g/mol. Its IUPAC name is N-cyclopropyl-2-(2-phenylpyrrolidin-1-yl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(2-phenylpyrrolidin-1-yl)quinoline-4-carboxamide
PubChem CID112812673
Molecular FormulaC23H23N3O
Molecular Weight357.46 g/mol
Exact Mass357.18
IUPAC NameN-cyclopropyl-2-(2-phenylpyrrolidin-1-yl)quinoline-4-carboxamide
SMILESO=C(NC1CC1)c1cc(N2CCCC2c2ccccc2)nc2ccccc12
InChIInChI=1S/C23H23N3O/c27-23(24-17-12-13-17)19-15-22(25-20-10-5-4-9-18(19)20)26-14-6-11-21(26)16-7-2-1-3-8-16/h1-5,7-10,15,17,21H,6,11-14H2,(H,24,27)
InChIKeyRCDSBORMIBYVBF-UHFFFAOYSA-N
XLogP4.47
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-2-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]quinoline-4-carboxamide
CID 112802310
N-cyclopropyl-2-[3-(phenylcarbamoyl)piperidin-1-yl]quinoline-4-carboxamide
CID 134032376
N-cyclopropyl-2-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]quinoline-4-carboxamide
CID 133486230
N-cyclopropyl-2-[2-(2-methylphenyl)morpholin-4-yl]quinoline-4-carboxamide
CID 133354287
N-cyclopropyl-2-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]quinoline-4-carboxamide
CID 133281334
(3aS,6aR)-2-[4-(cyclopropylcarbamoyl)quinolin-2-yl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 122063399
1-(4-carbamoylquinolin-2-yl)pyrrolidine-2-carboxylic acid
CID 63885030
N-cyclopropyl-2-[(1-methylpiperidin-3-yl)methylamino]quinoline-4-carboxamide
CID 133454577
N-cyclopropyl-2-[(1-methylsulfonylpiperidin-3-yl)amino]quinoline-4-carboxamide
CID 133274243
N-(4-hydroxycyclohexyl)-2-phenylquinoline-4-carboxamide
CID 78767510
N-cyclopropyl-2-pyridin-2-ylquinoline-4-carboxamide
CID 757672
N-cyclopentyl-2-pyridin-2-ylquinoline-4-carboxamide
CID 4232578

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(2-phenylpyrrolidin-1-yl)quinoline-4-carboxamide?
The IUPAC name of N-cyclopropyl-2-(2-phenylpyrrolidin-1-yl)quinoline-4-carboxamide (CID 112812673) is N-cyclopropyl-2-(2-phenylpyrrolidin-1-yl)quinoline-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-2-(2-phenylpyrrolidin-1-yl)quinoline-4-carboxamide?
The canonical SMILES for N-cyclopropyl-2-(2-phenylpyrrolidin-1-yl)quinoline-4-carboxamide is O=C(NC1CC1)c1cc(N2CCCC2c2ccccc2)nc2ccccc12.
What is the InChIKey of N-cyclopropyl-2-(2-phenylpyrrolidin-1-yl)quinoline-4-carboxamide?
The InChIKey is RCDSBORMIBYVBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O/c27-23(24-17-12-13-17)19-15-22(25-20-10-5-4-9-18(19)20)26-14-6-11-21(26)16-7-2-1-3-8-16/h1-5,7-10,15,17,21H,6,11-14H2,(H,24,27).
What are the key properties of N-cyclopropyl-2-(2-phenylpyrrolidin-1-yl)quinoline-4-carboxamide?
N-cyclopropyl-2-(2-phenylpyrrolidin-1-yl)quinoline-4-carboxamide has a molecular weight of 357.46 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(2-phenylpyrrolidin-1-yl)quinoline-4-carboxamide is sourced from PubChem (CID 112812673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).