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

C24H31N3O2 — CID 11794899

IUPAC7-[4-[4-(2-methylphenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one
SMILESCc1ccccc1N1CCN(CCCCOc2ccc3c(c2)NC(=O)CC3)CC1
InChIInChI=1S/C24H31N3O2/c1-19-6-2-3-7-23(19)27-15-13-26(14-16-27)12-4-5-17-29-21-10-8-20-9-11-24(28)25-22(20)18-21/h2-3,6-8,10,18H,4-5,9,11-17H2,1H3,(H,25,28)
InChIKeyUYNUCJCNGKHTNG-UHFFFAOYSA-N
MW393.53 g/mol
LogP3.86
Rot. Bonds7

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

7-[4-[4-(2-methylphenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 11794899) has the molecular formula C24H31N3O2 and a molecular weight of 393.53 g/mol. Its IUPAC name is 7-[4-[4-(2-methylphenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name7-[4-[4-(2-methylphenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one
PubChem CID11794899
Molecular FormulaC24H31N3O2
Molecular Weight393.53 g/mol
Exact Mass393.24
IUPAC Name7-[4-[4-(2-methylphenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one
SMILESCc1ccccc1N1CCN(CCCCOc2ccc3c(c2)NC(=O)CC3)CC1
InChIInChI=1S/C24H31N3O2/c1-19-6-2-3-7-23(19)27-15-13-26(14-16-27)12-4-5-17-29-21-10-8-20-9-11-24(28)25-22(20)18-21/h2-3,6-8,10,18H,4-5,9,11-17H2,1H3,(H,25,28)
InChIKeyUYNUCJCNGKHTNG-UHFFFAOYSA-N
XLogP3.86
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 7-[4-[4-(2-methylphenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-[4-[4-(2-methylphenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 7-[4-[4-(2-methylphenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one (CID 11794899) is 7-[4-[4-(2-methylphenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 7-[4-[4-(2-methylphenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 7-[4-[4-(2-methylphenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one is Cc1ccccc1N1CCN(CCCCOc2ccc3c(c2)NC(=O)CC3)CC1.
What is the InChIKey of 7-[4-[4-(2-methylphenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is UYNUCJCNGKHTNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O2/c1-19-6-2-3-7-23(19)27-15-13-26(14-16-27)12-4-5-17-29-21-10-8-20-9-11-24(28)25-22(20)18-21/h2-3,6-8,10,18H,4-5,9,11-17H2,1H3,(H,25,28).
What are the key properties of 7-[4-[4-(2-methylphenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one?
7-[4-[4-(2-methylphenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 393.53 g/mol, XLogP of 3.86, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-[4-(2-methylphenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 11794899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).