3-[4-[[7-methyl-2-(3-methylphenyl)quinolin-3-yl]methyl]piperazin-1-yl]propan-1-ol

C25H31N3O — CID 70762258

IUPAC3-[4-[[7-methyl-2-(3-methylphenyl)quinolin-3-yl]methyl]piperazin-1-yl]propan-1-ol
SMILESCc1cccc(-c2nc3cc(C)ccc3cc2CN2CCN(CCCO)CC2)c1
InChIInChI=1S/C25H31N3O/c1-19-5-3-6-22(15-19)25-23(17-21-8-7-20(2)16-24(21)26-25)18-28-12-10-27(11-13-28)9-4-14-29/h3,5-8,15-17,29H,4,9-14,18H2,1-2H3
InChIKeyWCKPMKXDCTUHCH-UHFFFAOYSA-N
MW389.54 g/mol
LogP4.02
Rot. Bonds6

About 3-[4-[[7-methyl-2-(3-methylphenyl)quinolin-3-yl]methyl]piperazin-1-yl]propan-1-ol

3-[4-[[7-methyl-2-(3-methylphenyl)quinolin-3-yl]methyl]piperazin-1-yl]propan-1-ol (PubChem CID 70762258) has the molecular formula C25H31N3O and a molecular weight of 389.54 g/mol. Its IUPAC name is 3-[4-[[7-methyl-2-(3-methylphenyl)quinolin-3-yl]methyl]piperazin-1-yl]propan-1-ol.

Molecular Properties

Compound Name3-[4-[[7-methyl-2-(3-methylphenyl)quinolin-3-yl]methyl]piperazin-1-yl]propan-1-ol
PubChem CID70762258
Molecular FormulaC25H31N3O
Molecular Weight389.54 g/mol
Exact Mass389.25
IUPAC Name3-[4-[[7-methyl-2-(3-methylphenyl)quinolin-3-yl]methyl]piperazin-1-yl]propan-1-ol
SMILESCc1cccc(-c2nc3cc(C)ccc3cc2CN2CCN(CCCO)CC2)c1
InChIInChI=1S/C25H31N3O/c1-19-5-3-6-22(15-19)25-23(17-21-8-7-20(2)16-24(21)26-25)18-28-12-10-27(11-13-28)9-4-14-29/h3,5-8,15-17,29H,4,9-14,18H2,1-2H3
InChIKeyWCKPMKXDCTUHCH-UHFFFAOYSA-N
XLogP4.02
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.54
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[4-[[7-methyl-2-(3-methylphenyl)quinolin-3-yl]methyl]piperazin-1-yl]propan-1-ol 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 3-[4-[[7-methyl-2-(3-methylphenyl)quinolin-3-yl]methyl]piperazin-1-yl]propan-1-ol?
The IUPAC name of 3-[4-[[7-methyl-2-(3-methylphenyl)quinolin-3-yl]methyl]piperazin-1-yl]propan-1-ol (CID 70762258) is 3-[4-[[7-methyl-2-(3-methylphenyl)quinolin-3-yl]methyl]piperazin-1-yl]propan-1-ol.
What is the SMILES notation for 3-[4-[[7-methyl-2-(3-methylphenyl)quinolin-3-yl]methyl]piperazin-1-yl]propan-1-ol?
The canonical SMILES for 3-[4-[[7-methyl-2-(3-methylphenyl)quinolin-3-yl]methyl]piperazin-1-yl]propan-1-ol is Cc1cccc(-c2nc3cc(C)ccc3cc2CN2CCN(CCCO)CC2)c1.
What is the InChIKey of 3-[4-[[7-methyl-2-(3-methylphenyl)quinolin-3-yl]methyl]piperazin-1-yl]propan-1-ol?
The InChIKey is WCKPMKXDCTUHCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O/c1-19-5-3-6-22(15-19)25-23(17-21-8-7-20(2)16-24(21)26-25)18-28-12-10-27(11-13-28)9-4-14-29/h3,5-8,15-17,29H,4,9-14,18H2,1-2H3.
What are the key properties of 3-[4-[[7-methyl-2-(3-methylphenyl)quinolin-3-yl]methyl]piperazin-1-yl]propan-1-ol?
3-[4-[[7-methyl-2-(3-methylphenyl)quinolin-3-yl]methyl]piperazin-1-yl]propan-1-ol has a molecular weight of 389.54 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[7-methyl-2-(3-methylphenyl)quinolin-3-yl]methyl]piperazin-1-yl]propan-1-ol is sourced from PubChem (CID 70762258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).