N-(2-aminoethyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide;hydrochloride

C14H20ClN3O2 — CID 119383150

IUPACN-(2-aminoethyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide;hydrochloride
SMILESCl.NCCNC(=O)CCC1Cc2ccccc2NC1=O
InChIInChI=1S/C14H19N3O2.ClH/c15-7-8-16-13(18)6-5-11-9-10-3-1-2-4-12(10)17-14(11)19;/h1-4,11H,5-9,15H2,(H,16,18)(H,17,19);1H
InChIKeyQVWOHKGQEXTUHE-UHFFFAOYSA-N
MW297.79 g/mol
LogP1.07
Rot. Bonds5

About N-(2-aminoethyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide;hydrochloride

N-(2-aminoethyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide;hydrochloride (PubChem CID 119383150) has the molecular formula C14H20ClN3O2 and a molecular weight of 297.79 g/mol. Its IUPAC name is N-(2-aminoethyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide;hydrochloride
PubChem CID119383150
Molecular FormulaC14H20ClN3O2
Molecular Weight297.79 g/mol
Exact Mass297.12
IUPAC NameN-(2-aminoethyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide;hydrochloride
SMILESCl.NCCNC(=O)CCC1Cc2ccccc2NC1=O
InChIInChI=1S/C14H19N3O2.ClH/c15-7-8-16-13(18)6-5-11-9-10-3-1-2-4-12(10)17-14(11)19;/h1-4,11H,5-9,15H2,(H,16,18)(H,17,19);1H
InChIKeyQVWOHKGQEXTUHE-UHFFFAOYSA-N
XLogP1.07
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxyethyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
CID 78839484
N-(3-hydroxypropyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
CID 78854593
N-[3-(methylamino)propyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide;hydrochloride
CID 119430985
3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)propanamide
CID 24633457
N-(2-amino-2-ethylbutyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide;hydrochloride
CID 119641049
N-[2-(cycloheptylamino)ethyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
CID 119619916
N-[2-(1-adamantyl)ethyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
CID 18142430
N-[(2-fluorophenyl)methyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
CID 16621979
methyl 2-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]acetate
CID 134051213
N-(2-amino-2-ethylbutyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
CID 119641050
3-fluoro-4-methyl-N-[2-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]ethyl]benzamide
CID 134039456
N-[2-(4-methoxyphenyl)ethyl]-3-[(3R)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide
CID 51537762

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide;hydrochloride?
The IUPAC name of N-(2-aminoethyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide;hydrochloride (CID 119383150) is N-(2-aminoethyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide;hydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide;hydrochloride?
The canonical SMILES for N-(2-aminoethyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide;hydrochloride is Cl.NCCNC(=O)CCC1Cc2ccccc2NC1=O.
What is the InChIKey of N-(2-aminoethyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide;hydrochloride?
The InChIKey is QVWOHKGQEXTUHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2.ClH/c15-7-8-16-13(18)6-5-11-9-10-3-1-2-4-12(10)17-14(11)19;/h1-4,11H,5-9,15H2,(H,16,18)(H,17,19);1H.
What are the key properties of N-(2-aminoethyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide;hydrochloride?
N-(2-aminoethyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide;hydrochloride has a molecular weight of 297.79 g/mol, XLogP of 1.07, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide;hydrochloride is sourced from PubChem (CID 119383150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).