N-cyclopropyl-2-pyrrolidin-1-ylquinoline-3-carboxamide

C17H19N3O — CID 166189320

IUPACN-cyclopropyl-2-pyrrolidin-1-ylquinoline-3-carboxamide
SMILESO=C(NC1CC1)c1cc2ccccc2nc1N1CCCC1
InChIInChI=1S/C17H19N3O/c21-17(18-13-7-8-13)14-11-12-5-1-2-6-15(12)19-16(14)20-9-3-4-10-20/h1-2,5-6,11,13H,3-4,7-10H2,(H,18,21)
InChIKeyRCTUZLLLFUBJGZ-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.73
Rot. Bonds3

About N-cyclopropyl-2-pyrrolidin-1-ylquinoline-3-carboxamide

N-cyclopropyl-2-pyrrolidin-1-ylquinoline-3-carboxamide (PubChem CID 166189320) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is N-cyclopropyl-2-pyrrolidin-1-ylquinoline-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-2-pyrrolidin-1-ylquinoline-3-carboxamide
PubChem CID166189320
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC NameN-cyclopropyl-2-pyrrolidin-1-ylquinoline-3-carboxamide
SMILESO=C(NC1CC1)c1cc2ccccc2nc1N1CCCC1
InChIInChI=1S/C17H19N3O/c21-17(18-13-7-8-13)14-11-12-5-1-2-6-15(12)19-16(14)20-9-3-4-10-20/h1-2,5-6,11,13H,3-4,7-10H2,(H,18,21)
InChIKeyRCTUZLLLFUBJGZ-UHFFFAOYSA-N
XLogP2.73
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S,2S)-2-methylcyclohexyl]-2-pyrrolidin-1-ylquinoline-3-carboxamide
CID 52515339
N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-pyrrolidin-1-ylquinoline-3-carboxamide
CID 111661790
N-[(2-piperidin-1-ylquinolin-3-yl)methyl]cyclopropanamine
CID 43281135
N-(2-but-3-enoxyethyl)-2-pyrrolidin-1-ylquinoline-3-carboxamide
CID 100663266
N-[4-[3-(dimethylamino)propanoylamino]phenyl]-2-pyrrolidin-1-ylquinoline-3-carboxamide
CID 86886621
N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-2-pyrrolidin-1-ylquinoline-3-carboxamide
CID 56540241
N-[1-(3-fluorophenyl)piperidin-3-yl]-2-methylquinoline-3-carboxamide
CID 86961456
2-piperidin-1-yl-N-[2-(1H-pyrazol-5-yl)phenyl]quinoline-3-carboxamide
CID 71292372
N-[(1-phenyltriazol-4-yl)methyl]-2-pyrrolidin-1-ylquinoline-3-carboxamide
CID 99595468
(4-hydroxyphenyl)-[4-(2-pyrrolidin-1-ylquinoline-3-carbonyl)piperazin-1-yl]methanone
CID 86941241
N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-pyrrolidin-1-ylquinoline-3-carboxamide
CID 98349961
2-piperazin-1-ylquinoline-3-carboxylic acid
CID 19763543

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-pyrrolidin-1-ylquinoline-3-carboxamide?
The IUPAC name of N-cyclopropyl-2-pyrrolidin-1-ylquinoline-3-carboxamide (CID 166189320) is N-cyclopropyl-2-pyrrolidin-1-ylquinoline-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-2-pyrrolidin-1-ylquinoline-3-carboxamide?
The canonical SMILES for N-cyclopropyl-2-pyrrolidin-1-ylquinoline-3-carboxamide is O=C(NC1CC1)c1cc2ccccc2nc1N1CCCC1.
What is the InChIKey of N-cyclopropyl-2-pyrrolidin-1-ylquinoline-3-carboxamide?
The InChIKey is RCTUZLLLFUBJGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c21-17(18-13-7-8-13)14-11-12-5-1-2-6-15(12)19-16(14)20-9-3-4-10-20/h1-2,5-6,11,13H,3-4,7-10H2,(H,18,21).
What are the key properties of N-cyclopropyl-2-pyrrolidin-1-ylquinoline-3-carboxamide?
N-cyclopropyl-2-pyrrolidin-1-ylquinoline-3-carboxamide has a molecular weight of 281.36 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-pyrrolidin-1-ylquinoline-3-carboxamide is sourced from PubChem (CID 166189320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).