N-(2-methyl-3-pyrrolidin-1-ylpropyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide

C18H25N3O2 — CID 87025928

IUPACN-(2-methyl-3-pyrrolidin-1-ylpropyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESCC(CNC(=O)C1CC(=O)Nc2ccccc21)CN1CCCC1
InChIInChI=1S/C18H25N3O2/c1-13(12-21-8-4-5-9-21)11-19-18(23)15-10-17(22)20-16-7-3-2-6-14(15)16/h2-3,6-7,13,15H,4-5,8-12H2,1H3,(H,19,23)(H,20,22)
InChIKeyWBJPQJRGGHRNMG-UHFFFAOYSA-N
MW315.42 g/mol
LogP1.96
Rot. Bonds5

About N-(2-methyl-3-pyrrolidin-1-ylpropyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide

N-(2-methyl-3-pyrrolidin-1-ylpropyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide (PubChem CID 87025928) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is N-(2-methyl-3-pyrrolidin-1-ylpropyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-3-pyrrolidin-1-ylpropyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
PubChem CID87025928
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC NameN-(2-methyl-3-pyrrolidin-1-ylpropyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESCC(CNC(=O)C1CC(=O)Nc2ccccc21)CN1CCCC1
InChIInChI=1S/C18H25N3O2/c1-13(12-21-8-4-5-9-21)11-19-18(23)15-10-17(22)20-16-7-3-2-6-14(15)16/h2-3,6-7,13,15H,4-5,8-12H2,1H3,(H,19,23)(H,20,22)
InChIKeyWBJPQJRGGHRNMG-UHFFFAOYSA-N
XLogP1.96
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-7-fluoro-N-[(2S)-2-methyl-3-pyrrolidin-1-ylpropyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 94158194
N-(4-methyl-2-morpholin-4-ylpentyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 134027214
N-butan-2-yl-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 4616929
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide;hydrochloride
CID 119526926
N-(2-acetamidoethyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 110702913
N-[2-(methylamino)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide;hydrochloride
CID 119503581
2-oxo-N-pentan-2-yl-3,4-dihydro-1H-quinoline-4-carboxamide
CID 42933282
N-[(4-methylphenyl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 42884361
N-(2-aminoethyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide;hydrochloride
CID 119384935
N-[2-(4-benzylpiperazin-1-yl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 134025863
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 55512306
N-methyl-2-oxo-N-(2-piperidin-1-ylethyl)-3,4-dihydro-1H-quinoline-4-carboxamide
CID 46966420

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-3-pyrrolidin-1-ylpropyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The IUPAC name of N-(2-methyl-3-pyrrolidin-1-ylpropyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide (CID 87025928) is N-(2-methyl-3-pyrrolidin-1-ylpropyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide.
What is the SMILES notation for N-(2-methyl-3-pyrrolidin-1-ylpropyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The canonical SMILES for N-(2-methyl-3-pyrrolidin-1-ylpropyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide is CC(CNC(=O)C1CC(=O)Nc2ccccc21)CN1CCCC1.
What is the InChIKey of N-(2-methyl-3-pyrrolidin-1-ylpropyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The InChIKey is WBJPQJRGGHRNMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-13(12-21-8-4-5-9-21)11-19-18(23)15-10-17(22)20-16-7-3-2-6-14(15)16/h2-3,6-7,13,15H,4-5,8-12H2,1H3,(H,19,23)(H,20,22).
What are the key properties of N-(2-methyl-3-pyrrolidin-1-ylpropyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
N-(2-methyl-3-pyrrolidin-1-ylpropyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide has a molecular weight of 315.42 g/mol, XLogP of 1.96, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-3-pyrrolidin-1-ylpropyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide is sourced from PubChem (CID 87025928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).