N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]pyrrolidine-3-carboxamide;hydrochloride

C16H22ClN3O2 — CID 119729826

IUPACN-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]pyrrolidine-3-carboxamide;hydrochloride
SMILESCC(NC(=O)C1CCNC1)c1ccc2c(c1)CCC(=O)N2.Cl
InChIInChI=1S/C16H21N3O2.ClH/c1-10(18-16(21)13-6-7-17-9-13)11-2-4-14-12(8-11)3-5-15(20)19-14;/h2,4,8,10,13,17H,3,5-7,9H2,1H3,(H,18,21)(H,19,20);1H
InChIKeyYZUDKRDJEJFQQZ-UHFFFAOYSA-N
MW323.82 g/mol
LogP1.78
Rot. Bonds3

About N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]pyrrolidine-3-carboxamide;hydrochloride

N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]pyrrolidine-3-carboxamide;hydrochloride (PubChem CID 119729826) has the molecular formula C16H22ClN3O2 and a molecular weight of 323.82 g/mol. Its IUPAC name is N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]pyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]pyrrolidine-3-carboxamide;hydrochloride
PubChem CID119729826
Molecular FormulaC16H22ClN3O2
Molecular Weight323.82 g/mol
Exact Mass323.14
IUPAC NameN-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]pyrrolidine-3-carboxamide;hydrochloride
SMILESCC(NC(=O)C1CCNC1)c1ccc2c(c1)CCC(=O)N2.Cl
InChIInChI=1S/C16H21N3O2.ClH/c1-10(18-16(21)13-6-7-17-9-13)11-2-4-14-12(8-11)3-5-15(20)19-14;/h2,4,8,10,13,17H,3,5-7,9H2,1H3,(H,18,21)(H,19,20);1H
InChIKeyYZUDKRDJEJFQQZ-UHFFFAOYSA-N
XLogP1.78
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.82
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]cyclopentane-1-carboxamide
CID 119729790
N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]piperidine-2-carboxamide
CID 119292758
N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119729798
3-amino-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119729792
N-[(1S)-1-(4-fluorophenyl)ethyl]pyrrolidine-3-carboxamide
CID 81350122
(3R)-3-cyclopropyl-N-[(1R)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]butanamide
CID 97314500
N-[(1S)-1-(4-chlorophenyl)ethyl]pyrrolidine-3-carboxamide
CID 81354643
1-amino-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]cyclopropane-1-carboxamide
CID 119729776
N-(1-phenylethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119669719
6-[methylamino(pyrrolidin-3-yl)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 116951044
N-[1-(4-cyanophenyl)ethyl]pyrrolidine-3-carboxamide
CID 55150795
N-[1-(4-phenylphenyl)ethyl]pyrrolidine-3-carboxamide
CID 119685570

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]pyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]pyrrolidine-3-carboxamide;hydrochloride (CID 119729826) is N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]pyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]pyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]pyrrolidine-3-carboxamide;hydrochloride is CC(NC(=O)C1CCNC1)c1ccc2c(c1)CCC(=O)N2.Cl.
What is the InChIKey of N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]pyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is YZUDKRDJEJFQQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2.ClH/c1-10(18-16(21)13-6-7-17-9-13)11-2-4-14-12(8-11)3-5-15(20)19-14;/h2,4,8,10,13,17H,3,5-7,9H2,1H3,(H,18,21)(H,19,20);1H.
What are the key properties of N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]pyrrolidine-3-carboxamide;hydrochloride?
N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]pyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 323.82 g/mol, XLogP of 1.78, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]pyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119729826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).