6-methoxy-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]quinolin-2-amine

C25H32N4O2 — CID 24806071

IUPAC6-methoxy-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]quinolin-2-amine
SMILESCOc1ccc2nc(NCCCCN3CCN(c4ccccc4OC)CC3)ccc2c1
InChIInChI=1S/C25H32N4O2/c1-30-21-10-11-22-20(19-21)9-12-25(27-22)26-13-5-6-14-28-15-17-29(18-16-28)23-7-3-4-8-24(23)31-2/h3-4,7-12,19H,5-6,13-18H2,1-2H3,(H,26,27)
InChIKeyRRPRNLNNCGETJT-UHFFFAOYSA-N
MW420.56 g/mol
LogP4.27
Rot. Bonds9

About 6-methoxy-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]quinolin-2-amine

6-methoxy-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]quinolin-2-amine (PubChem CID 24806071) has the molecular formula C25H32N4O2 and a molecular weight of 420.56 g/mol. Its IUPAC name is 6-methoxy-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]quinolin-2-amine.

Molecular Properties

Compound Name6-methoxy-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]quinolin-2-amine
PubChem CID24806071
Molecular FormulaC25H32N4O2
Molecular Weight420.56 g/mol
Exact Mass420.25
IUPAC Name6-methoxy-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]quinolin-2-amine
SMILESCOc1ccc2nc(NCCCCN3CCN(c4ccccc4OC)CC3)ccc2c1
InChIInChI=1S/C25H32N4O2/c1-30-21-10-11-22-20(19-21)9-12-25(27-22)26-13-5-6-14-28-15-17-29(18-16-28)23-7-3-4-8-24(23)31-2/h3-4,7-12,19H,5-6,13-18H2,1-2H3,(H,26,27)
InChIKeyRRPRNLNNCGETJT-UHFFFAOYSA-N
XLogP4.27
TPSA49.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.56
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 6-methoxy-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]quinolin-2-amine 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 6-methoxy-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]quinolin-2-amine?
The IUPAC name of 6-methoxy-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]quinolin-2-amine (CID 24806071) is 6-methoxy-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]quinolin-2-amine.
What is the SMILES notation for 6-methoxy-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]quinolin-2-amine?
The canonical SMILES for 6-methoxy-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]quinolin-2-amine is COc1ccc2nc(NCCCCN3CCN(c4ccccc4OC)CC3)ccc2c1.
What is the InChIKey of 6-methoxy-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]quinolin-2-amine?
The InChIKey is RRPRNLNNCGETJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O2/c1-30-21-10-11-22-20(19-21)9-12-25(27-22)26-13-5-6-14-28-15-17-29(18-16-28)23-7-3-4-8-24(23)31-2/h3-4,7-12,19H,5-6,13-18H2,1-2H3,(H,26,27).
What are the key properties of 6-methoxy-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]quinolin-2-amine?
6-methoxy-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]quinolin-2-amine has a molecular weight of 420.56 g/mol, XLogP of 4.27, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]quinolin-2-amine is sourced from PubChem (CID 24806071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).