2-oxo-N-pyrrolidin-3-yl-3,4-dihydro-1H-quinoline-4-carboxamide;hydrochloride

C14H18ClN3O2 — CID 119453472

IUPAC2-oxo-N-pyrrolidin-3-yl-3,4-dihydro-1H-quinoline-4-carboxamide;hydrochloride
SMILESCl.O=C1CC(C(=O)NC2CCNC2)c2ccccc2N1
InChIInChI=1S/C14H17N3O2.ClH/c18-13-7-11(10-3-1-2-4-12(10)17-13)14(19)16-9-5-6-15-8-9;/h1-4,9,11,15H,5-8H2,(H,16,19)(H,17,18);1H
InChIKeyZVFYYHDZDFOMPX-UHFFFAOYSA-N
MW295.77 g/mol
LogP1.01
Rot. Bonds2

About 2-oxo-N-pyrrolidin-3-yl-3,4-dihydro-1H-quinoline-4-carboxamide;hydrochloride

2-oxo-N-pyrrolidin-3-yl-3,4-dihydro-1H-quinoline-4-carboxamide;hydrochloride (PubChem CID 119453472) has the molecular formula C14H18ClN3O2 and a molecular weight of 295.77 g/mol. Its IUPAC name is 2-oxo-N-pyrrolidin-3-yl-3,4-dihydro-1H-quinoline-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-oxo-N-pyrrolidin-3-yl-3,4-dihydro-1H-quinoline-4-carboxamide;hydrochloride
PubChem CID119453472
Molecular FormulaC14H18ClN3O2
Molecular Weight295.77 g/mol
Exact Mass295.11
IUPAC Name2-oxo-N-pyrrolidin-3-yl-3,4-dihydro-1H-quinoline-4-carboxamide;hydrochloride
SMILESCl.O=C1CC(C(=O)NC2CCNC2)c2ccccc2N1
InChIInChI=1S/C14H17N3O2.ClH/c18-13-7-11(10-3-1-2-4-12(10)17-13)14(19)16-9-5-6-15-8-9;/h1-4,9,11,15H,5-8H2,(H,16,19)(H,17,18);1H
InChIKeyZVFYYHDZDFOMPX-UHFFFAOYSA-N
XLogP1.01
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

7-fluoro-2-oxo-N-pyrrolidin-3-yl-3,4-dihydro-1H-quinoline-4-carboxamide;hydrochloride
CID 119450828
4-[(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 119229415
N-pyrrolidin-3-ylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 66397068
(4S)-N-[(3R)-1,1-dioxothiolan-3-yl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 94017884
N-methyl-2-oxo-N-pyrrolidin-3-yl-3,4-dihydro-1H-quinoline-4-carboxamide;hydrochloride
CID 119553909
2-oxo-N-phenyl-3,4-dihydro-1H-quinoline-4-carboxamide
CID 17493174
N-(2-aminoethyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide;hydrochloride
CID 119384935
N-[2-(methylamino)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide;hydrochloride
CID 119503581
2-oxo-N-propyl-N-pyrrolidin-3-yl-3,4-dihydro-1H-quinoline-4-carboxamide;hydrochloride
CID 119532564
(4S)-N-(4-chlorophenyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 51478917
N-cyclopropyl-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 18136489
N-(2-acetamidoethyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 110702913

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-pyrrolidin-3-yl-3,4-dihydro-1H-quinoline-4-carboxamide;hydrochloride?
The IUPAC name of 2-oxo-N-pyrrolidin-3-yl-3,4-dihydro-1H-quinoline-4-carboxamide;hydrochloride (CID 119453472) is 2-oxo-N-pyrrolidin-3-yl-3,4-dihydro-1H-quinoline-4-carboxamide;hydrochloride.
What is the SMILES notation for 2-oxo-N-pyrrolidin-3-yl-3,4-dihydro-1H-quinoline-4-carboxamide;hydrochloride?
The canonical SMILES for 2-oxo-N-pyrrolidin-3-yl-3,4-dihydro-1H-quinoline-4-carboxamide;hydrochloride is Cl.O=C1CC(C(=O)NC2CCNC2)c2ccccc2N1.
What is the InChIKey of 2-oxo-N-pyrrolidin-3-yl-3,4-dihydro-1H-quinoline-4-carboxamide;hydrochloride?
The InChIKey is ZVFYYHDZDFOMPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2.ClH/c18-13-7-11(10-3-1-2-4-12(10)17-13)14(19)16-9-5-6-15-8-9;/h1-4,9,11,15H,5-8H2,(H,16,19)(H,17,18);1H.
What are the key properties of 2-oxo-N-pyrrolidin-3-yl-3,4-dihydro-1H-quinoline-4-carboxamide;hydrochloride?
2-oxo-N-pyrrolidin-3-yl-3,4-dihydro-1H-quinoline-4-carboxamide;hydrochloride has a molecular weight of 295.77 g/mol, XLogP of 1.01, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-pyrrolidin-3-yl-3,4-dihydro-1H-quinoline-4-carboxamide;hydrochloride is sourced from PubChem (CID 119453472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).