3-(4-pyridin-2-ylpiperazine-1-carbonyl)-5,6,7,8-tetrahydro-1H-quinolin-2-one

C19H22N4O2 — CID 51054862

IUPAC3-(4-pyridin-2-ylpiperazine-1-carbonyl)-5,6,7,8-tetrahydro-1H-quinolin-2-one
SMILESO=C(c1cc2c([nH]c1=O)CCCC2)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C19H22N4O2/c24-18-15(13-14-5-1-2-6-16(14)21-18)19(25)23-11-9-22(10-12-23)17-7-3-4-8-20-17/h3-4,7-8,13H,1-2,5-6,9-12H2,(H,21,24)
InChIKeyPZPCNPNNBVIRSM-UHFFFAOYSA-N
MW338.41 g/mol
LogP1.61
Rot. Bonds2

About 3-(4-pyridin-2-ylpiperazine-1-carbonyl)-5,6,7,8-tetrahydro-1H-quinolin-2-one

3-(4-pyridin-2-ylpiperazine-1-carbonyl)-5,6,7,8-tetrahydro-1H-quinolin-2-one (PubChem CID 51054862) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 3-(4-pyridin-2-ylpiperazine-1-carbonyl)-5,6,7,8-tetrahydro-1H-quinolin-2-one.

Molecular Properties

Compound Name3-(4-pyridin-2-ylpiperazine-1-carbonyl)-5,6,7,8-tetrahydro-1H-quinolin-2-one
PubChem CID51054862
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name3-(4-pyridin-2-ylpiperazine-1-carbonyl)-5,6,7,8-tetrahydro-1H-quinolin-2-one
SMILESO=C(c1cc2c([nH]c1=O)CCCC2)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C19H22N4O2/c24-18-15(13-14-5-1-2-6-16(14)21-18)19(25)23-11-9-22(10-12-23)17-7-3-4-8-20-17/h3-4,7-8,13H,1-2,5-6,9-12H2,(H,21,24)
InChIKeyPZPCNPNNBVIRSM-UHFFFAOYSA-N
XLogP1.61
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(4-pyridin-2-ylpiperazine-1-carbonyl)-5,6,7,8-tetrahydro-1H-quinolin-2-one with MolForge

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Related Compounds

3-[4-(pyridin-2-ylmethyl)piperazine-1-carbonyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one
CID 71941109
3-(4-quinazolin-4-ylpiperazine-1-carbonyl)-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one
CID 56911668
5-(4-pyridin-2-ylpiperazine-1-carbonyl)-1H-pyrimidine-2,4-dione
CID 110854947
3-[4-(3-methylphenyl)piperazine-1-carbonyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one
CID 71894379
4-(4-pyridin-2-ylpiperazine-1-carbonyl)-1H-quinolin-2-one
CID 18104771
3-methyl-2-(4-pyridin-2-ylpiperazine-1-carbonyl)-1,5,6,7-tetrahydroindol-4-one
CID 47006849
3-(1,4-diazepane-1-carbonyl)-5,6,7,8-tetrahydro-1H-quinolin-2-one;hydrochloride
CID 119418144
3-[4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazine-1-carbonyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one
CID 95729823
(2,5-dimethylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 925511
[2-(azepan-1-yl)-4-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109174556
2-(4-pyridin-2-ylpiperazine-1-carbonyl)-3H-quinazolin-4-one
CID 135877794
(4-methylpiperazin-1-yl)-[3-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]methanone
CID 109053532

Frequently Asked Questions

What is the IUPAC name of 3-(4-pyridin-2-ylpiperazine-1-carbonyl)-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The IUPAC name of 3-(4-pyridin-2-ylpiperazine-1-carbonyl)-5,6,7,8-tetrahydro-1H-quinolin-2-one (CID 51054862) is 3-(4-pyridin-2-ylpiperazine-1-carbonyl)-5,6,7,8-tetrahydro-1H-quinolin-2-one.
What is the SMILES notation for 3-(4-pyridin-2-ylpiperazine-1-carbonyl)-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The canonical SMILES for 3-(4-pyridin-2-ylpiperazine-1-carbonyl)-5,6,7,8-tetrahydro-1H-quinolin-2-one is O=C(c1cc2c([nH]c1=O)CCCC2)N1CCN(c2ccccn2)CC1.
What is the InChIKey of 3-(4-pyridin-2-ylpiperazine-1-carbonyl)-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The InChIKey is PZPCNPNNBVIRSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c24-18-15(13-14-5-1-2-6-16(14)21-18)19(25)23-11-9-22(10-12-23)17-7-3-4-8-20-17/h3-4,7-8,13H,1-2,5-6,9-12H2,(H,21,24).
What are the key properties of 3-(4-pyridin-2-ylpiperazine-1-carbonyl)-5,6,7,8-tetrahydro-1H-quinolin-2-one?
3-(4-pyridin-2-ylpiperazine-1-carbonyl)-5,6,7,8-tetrahydro-1H-quinolin-2-one has a molecular weight of 338.41 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-pyridin-2-ylpiperazine-1-carbonyl)-5,6,7,8-tetrahydro-1H-quinolin-2-one is sourced from PubChem (CID 51054862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).