7-[3-[4-(4-methylphenyl)piperazin-1-yl]propoxy]-3,4-dihydro-1H-quinolin-2-one

C23H29N3O2 — CID 12899489

IUPAC7-[3-[4-(4-methylphenyl)piperazin-1-yl]propoxy]-3,4-dihydro-1H-quinolin-2-one
SMILESCc1ccc(N2CCN(CCCOc3ccc4c(c3)NC(=O)CC4)CC2)cc1
InChIInChI=1S/C23H29N3O2/c1-18-3-7-20(8-4-18)26-14-12-25(13-15-26)11-2-16-28-21-9-5-19-6-10-23(27)24-22(19)17-21/h3-5,7-9,17H,2,6,10-16H2,1H3,(H,24,27)
InChIKeyMLUSPPKOSUCWLV-UHFFFAOYSA-N
MW379.50 g/mol
LogP3.47
Rot. Bonds6

About 7-[3-[4-(4-methylphenyl)piperazin-1-yl]propoxy]-3,4-dihydro-1H-quinolin-2-one

7-[3-[4-(4-methylphenyl)piperazin-1-yl]propoxy]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 12899489) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is 7-[3-[4-(4-methylphenyl)piperazin-1-yl]propoxy]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name7-[3-[4-(4-methylphenyl)piperazin-1-yl]propoxy]-3,4-dihydro-1H-quinolin-2-one
PubChem CID12899489
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC Name7-[3-[4-(4-methylphenyl)piperazin-1-yl]propoxy]-3,4-dihydro-1H-quinolin-2-one
SMILESCc1ccc(N2CCN(CCCOc3ccc4c(c3)NC(=O)CC4)CC2)cc1
InChIInChI=1S/C23H29N3O2/c1-18-3-7-20(8-4-18)26-14-12-25(13-15-26)11-2-16-28-21-9-5-19-6-10-23(27)24-22(19)17-21/h3-5,7-9,17H,2,6,10-16H2,1H3,(H,24,27)
InChIKeyMLUSPPKOSUCWLV-UHFFFAOYSA-N
XLogP3.47
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

7-[4-[4-(3-chloro-4-methylphenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one
CID 10598609
7-[4-[4-(3-ethoxyphenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one
CID 66559778
7-[3-[4-(2,3-dichloro-4-hydroxyphenyl)piperazin-1-yl]propoxy]-3,4-dihydro-1H-quinolin-2-one
CID 58807602
6-[4-[3-(4-methylphenoxy)propyl]piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
CID 13369783
7-[4-[4-(2-fluorophenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one
CID 10715828
6-[3-[4-(2-methylphenyl)piperazin-1-yl]propoxy]-3,4-dihydro-1H-quinolin-2-one
CID 14289489
7-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propoxy]-3,4-dihydro-1H-quinolin-2-one
CID 46829776
7-[3-[4-(2,3-dichlorophenyl)-1,4-diazepan-1-yl]propoxy]-3,4-dihydro-1H-quinolin-2-one
CID 56597937
7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one;hydrochloride
CID 11720026
7-[5-[4-(2,3-dichlorophenyl)piperazin-1-yl]pentoxy]-3,4-dihydro-1H-quinolin-2-one
CID 171647773
7-[3-[4-(1,1-dioxo-1,2-benzothiazol-3-yl)piperazin-1-yl]propoxy]-3,4-dihydro-1H-quinolin-2-one
CID 25151399
7-[4-[4-(5-chloro-6-methylcyclohepta-1,3,5-trien-1-yl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one;ethene
CID 143209873

Frequently Asked Questions

What is the IUPAC name of 7-[3-[4-(4-methylphenyl)piperazin-1-yl]propoxy]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 7-[3-[4-(4-methylphenyl)piperazin-1-yl]propoxy]-3,4-dihydro-1H-quinolin-2-one (CID 12899489) is 7-[3-[4-(4-methylphenyl)piperazin-1-yl]propoxy]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 7-[3-[4-(4-methylphenyl)piperazin-1-yl]propoxy]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 7-[3-[4-(4-methylphenyl)piperazin-1-yl]propoxy]-3,4-dihydro-1H-quinolin-2-one is Cc1ccc(N2CCN(CCCOc3ccc4c(c3)NC(=O)CC4)CC2)cc1.
What is the InChIKey of 7-[3-[4-(4-methylphenyl)piperazin-1-yl]propoxy]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is MLUSPPKOSUCWLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-18-3-7-20(8-4-18)26-14-12-25(13-15-26)11-2-16-28-21-9-5-19-6-10-23(27)24-22(19)17-21/h3-5,7-9,17H,2,6,10-16H2,1H3,(H,24,27).
What are the key properties of 7-[3-[4-(4-methylphenyl)piperazin-1-yl]propoxy]-3,4-dihydro-1H-quinolin-2-one?
7-[3-[4-(4-methylphenyl)piperazin-1-yl]propoxy]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 379.50 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-[4-(4-methylphenyl)piperazin-1-yl]propoxy]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 12899489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).