6-[1-hydroxy-3-[4-(4-methylphenyl)piperazin-1-yl]propyl]-3,4-dihydro-1H-quinolin-2-one

C23H29N3O2 — CID 13064857

IUPAC6-[1-hydroxy-3-[4-(4-methylphenyl)piperazin-1-yl]propyl]-3,4-dihydro-1H-quinolin-2-one
SMILESCc1ccc(N2CCN(CCC(O)c3ccc4c(c3)CCC(=O)N4)CC2)cc1
InChIInChI=1S/C23H29N3O2/c1-17-2-6-20(7-3-17)26-14-12-25(13-15-26)11-10-22(27)19-4-8-21-18(16-19)5-9-23(28)24-21/h2-4,6-8,16,22,27H,5,9-15H2,1H3,(H,24,28)
InChIKeyHTMZIYOAXFYKDS-UHFFFAOYSA-N
MW379.50 g/mol
LogP3.13
Rot. Bonds5

About 6-[1-hydroxy-3-[4-(4-methylphenyl)piperazin-1-yl]propyl]-3,4-dihydro-1H-quinolin-2-one

6-[1-hydroxy-3-[4-(4-methylphenyl)piperazin-1-yl]propyl]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 13064857) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is 6-[1-hydroxy-3-[4-(4-methylphenyl)piperazin-1-yl]propyl]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[1-hydroxy-3-[4-(4-methylphenyl)piperazin-1-yl]propyl]-3,4-dihydro-1H-quinolin-2-one
PubChem CID13064857
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC Name6-[1-hydroxy-3-[4-(4-methylphenyl)piperazin-1-yl]propyl]-3,4-dihydro-1H-quinolin-2-one
SMILESCc1ccc(N2CCN(CCC(O)c3ccc4c(c3)CCC(=O)N4)CC2)cc1
InChIInChI=1S/C23H29N3O2/c1-17-2-6-20(7-3-17)26-14-12-25(13-15-26)11-10-22(27)19-4-8-21-18(16-19)5-9-23(28)24-21/h2-4,6-8,16,22,27H,5,9-15H2,1H3,(H,24,28)
InChIKeyHTMZIYOAXFYKDS-UHFFFAOYSA-N
XLogP3.13
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

bicyclo[2.2.0]hexa-1,3,5-triene;6-[1-hydroxy-3-(4-hydroxypiperidin-1-yl)propyl]-3,4-dihydro-1H-quinolin-2-one
CID 70454211
6-(1-hydroxypropyl)-3,4-dihydro-1H-quinolin-2-one
CID 19854697
6-[1-hydroxy-3-(4-phenylpiperazin-1-yl)propyl]-1-methyl-3,4-dihydroquinolin-2-one
CID 13064851
7-[3-[4-(4-methylphenyl)piperazin-1-yl]propoxy]-3,4-dihydro-1H-quinolin-2-one
CID 12899489
6-[(1S)-2-chloro-1-hydroxyethyl]-3,4-dihydro-1H-quinolin-2-one
CID 69453325
6-[1-hydroxy-2-[4-hydroxy-4-(3-methylphenyl)piperidin-1-yl]ethyl]-3,4-dihydro-1H-quinolin-2-one
CID 22736934
7-(1-hydroxypentyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 61082820
6-[1-chloro-2-(4-methylphenyl)ethyl]-3,4-dihydro-1H-quinolin-2-one
CID 61083968
6-[(1R)-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-hydroxy-4-oxobutyl]-3,4-dihydro-1H-quinolin-2-one
CID 100604548
6-[(1R)-4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-1-hydroxy-4-oxobutyl]-3,4-dihydro-1H-quinolin-2-one
CID 100604538
6-[4-[(E)-but-2-enyl]piperazin-1-yl]-3,4-dihydro-1H-quinolin-2-one
CID 13236323
7-[2-[(3S)-3-benzylpiperidin-1-yl]-1-hydroxyethyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one;dihydrochloride
CID 142663341

Frequently Asked Questions

What is the IUPAC name of 6-[1-hydroxy-3-[4-(4-methylphenyl)piperazin-1-yl]propyl]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[1-hydroxy-3-[4-(4-methylphenyl)piperazin-1-yl]propyl]-3,4-dihydro-1H-quinolin-2-one (CID 13064857) is 6-[1-hydroxy-3-[4-(4-methylphenyl)piperazin-1-yl]propyl]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[1-hydroxy-3-[4-(4-methylphenyl)piperazin-1-yl]propyl]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[1-hydroxy-3-[4-(4-methylphenyl)piperazin-1-yl]propyl]-3,4-dihydro-1H-quinolin-2-one is Cc1ccc(N2CCN(CCC(O)c3ccc4c(c3)CCC(=O)N4)CC2)cc1.
What is the InChIKey of 6-[1-hydroxy-3-[4-(4-methylphenyl)piperazin-1-yl]propyl]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is HTMZIYOAXFYKDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-17-2-6-20(7-3-17)26-14-12-25(13-15-26)11-10-22(27)19-4-8-21-18(16-19)5-9-23(28)24-21/h2-4,6-8,16,22,27H,5,9-15H2,1H3,(H,24,28).
What are the key properties of 6-[1-hydroxy-3-[4-(4-methylphenyl)piperazin-1-yl]propyl]-3,4-dihydro-1H-quinolin-2-one?
6-[1-hydroxy-3-[4-(4-methylphenyl)piperazin-1-yl]propyl]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 379.50 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-hydroxy-3-[4-(4-methylphenyl)piperazin-1-yl]propyl]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 13064857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).