3-(2-pyridin-3-ylpiperazine-1-carbonyl)-5,6,7,8-tetrahydro-1H-quinolin-2-one;hydrochloride

C19H23ClN4O2 — CID 120728924

IUPAC3-(2-pyridin-3-ylpiperazine-1-carbonyl)-5,6,7,8-tetrahydro-1H-quinolin-2-one;hydrochloride
SMILESCl.O=C(c1cc2c([nH]c1=O)CCCC2)N1CCNCC1c1cccnc1
InChIInChI=1S/C19H22N4O2.ClH/c24-18-15(10-13-4-1-2-6-16(13)22-18)19(25)23-9-8-21-12-17(23)14-5-3-7-20-11-14;/h3,5,7,10-11,17,21H,1-2,4,6,8-9,12H2,(H,22,24);1H
InChIKeyQMBCUVZRXFVYMZ-UHFFFAOYSA-N
MW374.87 g/mol
LogP1.86
Rot. Bonds2

About 3-(2-pyridin-3-ylpiperazine-1-carbonyl)-5,6,7,8-tetrahydro-1H-quinolin-2-one;hydrochloride

3-(2-pyridin-3-ylpiperazine-1-carbonyl)-5,6,7,8-tetrahydro-1H-quinolin-2-one;hydrochloride (PubChem CID 120728924) has the molecular formula C19H23ClN4O2 and a molecular weight of 374.87 g/mol. Its IUPAC name is 3-(2-pyridin-3-ylpiperazine-1-carbonyl)-5,6,7,8-tetrahydro-1H-quinolin-2-one;hydrochloride.

Molecular Properties

Compound Name3-(2-pyridin-3-ylpiperazine-1-carbonyl)-5,6,7,8-tetrahydro-1H-quinolin-2-one;hydrochloride
PubChem CID120728924
Molecular FormulaC19H23ClN4O2
Molecular Weight374.87 g/mol
Exact Mass374.15
IUPAC Name3-(2-pyridin-3-ylpiperazine-1-carbonyl)-5,6,7,8-tetrahydro-1H-quinolin-2-one;hydrochloride
SMILESCl.O=C(c1cc2c([nH]c1=O)CCCC2)N1CCNCC1c1cccnc1
InChIInChI=1S/C19H22N4O2.ClH/c24-18-15(10-13-4-1-2-6-16(13)22-18)19(25)23-9-8-21-12-17(23)14-5-3-7-20-11-14;/h3,5,7,10-11,17,21H,1-2,4,6,8-9,12H2,(H,22,24);1H
InChIKeyQMBCUVZRXFVYMZ-UHFFFAOYSA-N
XLogP1.86
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.87
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(2-pyridin-3-ylpiperazine-1-carbonyl)-5,6,7,8-tetrahydro-1H-quinolin-2-one;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-pyridin-3-ylpiperazin-1-yl)-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanone;hydrochloride
CID 120730755
3-(2-methylpiperazine-1-carbonyl)-5,6,7,8-tetrahydro-1H-quinolin-2-one;hydrochloride
CID 119473139
(2,4-difluorophenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120729758
3-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]-1,5,6,7,8,9-hexahydrocyclohepta[b]pyridin-2-one
CID 120880030
(3-chloro-4-pyridinyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120730350
1-methyl-3-(2-pyridin-3-ylpiperazine-1-carbonyl)pyridin-2-one;hydrochloride
CID 120729468
1-methyl-3-(2-pyridin-3-ylpiperazine-1-carbonyl)pyridin-2-one
CID 120729469
1-methyl-4-(2-pyridin-3-ylpiperazine-1-carbonyl)quinolin-2-one;hydrochloride
CID 120731988
(2-pyridin-3-ylpiperazin-1-yl)-(1H-pyrrol-2-yl)methanone;hydrochloride
CID 120730091
(4-methylquinolin-3-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;dihydrochloride
CID 120731327
(5-methylfuran-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120732206
pyrazolo[1,5-a]pyrimidin-3-yl-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120729387

Frequently Asked Questions

What is the IUPAC name of 3-(2-pyridin-3-ylpiperazine-1-carbonyl)-5,6,7,8-tetrahydro-1H-quinolin-2-one;hydrochloride?
The IUPAC name of 3-(2-pyridin-3-ylpiperazine-1-carbonyl)-5,6,7,8-tetrahydro-1H-quinolin-2-one;hydrochloride (CID 120728924) is 3-(2-pyridin-3-ylpiperazine-1-carbonyl)-5,6,7,8-tetrahydro-1H-quinolin-2-one;hydrochloride.
What is the SMILES notation for 3-(2-pyridin-3-ylpiperazine-1-carbonyl)-5,6,7,8-tetrahydro-1H-quinolin-2-one;hydrochloride?
The canonical SMILES for 3-(2-pyridin-3-ylpiperazine-1-carbonyl)-5,6,7,8-tetrahydro-1H-quinolin-2-one;hydrochloride is Cl.O=C(c1cc2c([nH]c1=O)CCCC2)N1CCNCC1c1cccnc1.
What is the InChIKey of 3-(2-pyridin-3-ylpiperazine-1-carbonyl)-5,6,7,8-tetrahydro-1H-quinolin-2-one;hydrochloride?
The InChIKey is QMBCUVZRXFVYMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2.ClH/c24-18-15(10-13-4-1-2-6-16(13)22-18)19(25)23-9-8-21-12-17(23)14-5-3-7-20-11-14;/h3,5,7,10-11,17,21H,1-2,4,6,8-9,12H2,(H,22,24);1H.
What are the key properties of 3-(2-pyridin-3-ylpiperazine-1-carbonyl)-5,6,7,8-tetrahydro-1H-quinolin-2-one;hydrochloride?
3-(2-pyridin-3-ylpiperazine-1-carbonyl)-5,6,7,8-tetrahydro-1H-quinolin-2-one;hydrochloride has a molecular weight of 374.87 g/mol, XLogP of 1.86, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-pyridin-3-ylpiperazine-1-carbonyl)-5,6,7,8-tetrahydro-1H-quinolin-2-one;hydrochloride is sourced from PubChem (CID 120728924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).