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

C25H32N4O — CID 24806074

IUPACN-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-6-methylquinolin-2-amine
SMILESCOc1ccccc1N1CCN(CCCCNc2ccc3cc(C)ccc3n2)CC1
InChIInChI=1S/C25H32N4O/c1-20-9-11-22-21(19-20)10-12-25(27-22)26-13-5-6-14-28-15-17-29(18-16-28)23-7-3-4-8-24(23)30-2/h3-4,7-12,19H,5-6,13-18H2,1-2H3,(H,26,27)
InChIKeyLTAWZNAXYRQBIM-UHFFFAOYSA-N
MW404.56 g/mol
LogP4.57
Rot. Bonds8

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

N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-6-methylquinolin-2-amine (PubChem CID 24806074) has the molecular formula C25H32N4O and a molecular weight of 404.56 g/mol. Its IUPAC name is N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-6-methylquinolin-2-amine.

Molecular Properties

Compound NameN-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-6-methylquinolin-2-amine
PubChem CID24806074
Molecular FormulaC25H32N4O
Molecular Weight404.56 g/mol
Exact Mass404.26
IUPAC NameN-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-6-methylquinolin-2-amine
SMILESCOc1ccccc1N1CCN(CCCCNc2ccc3cc(C)ccc3n2)CC1
InChIInChI=1S/C25H32N4O/c1-20-9-11-22-21(19-20)10-12-25(27-22)26-13-5-6-14-28-15-17-29(18-16-28)23-7-3-4-8-24(23)30-2/h3-4,7-12,19H,5-6,13-18H2,1-2H3,(H,26,27)
InChIKeyLTAWZNAXYRQBIM-UHFFFAOYSA-N
XLogP4.57
TPSA40.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.56
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-6-methylquinolin-2-amine?
The IUPAC name of N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-6-methylquinolin-2-amine (CID 24806074) is N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-6-methylquinolin-2-amine.
What is the SMILES notation for N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-6-methylquinolin-2-amine?
The canonical SMILES for N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-6-methylquinolin-2-amine is COc1ccccc1N1CCN(CCCCNc2ccc3cc(C)ccc3n2)CC1.
What is the InChIKey of N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-6-methylquinolin-2-amine?
The InChIKey is LTAWZNAXYRQBIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O/c1-20-9-11-22-21(19-20)10-12-25(27-22)26-13-5-6-14-28-15-17-29(18-16-28)23-7-3-4-8-24(23)30-2/h3-4,7-12,19H,5-6,13-18H2,1-2H3,(H,26,27).
What are the key properties of N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-6-methylquinolin-2-amine?
N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-6-methylquinolin-2-amine has a molecular weight of 404.56 g/mol, XLogP of 4.57, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-6-methylquinolin-2-amine is sourced from PubChem (CID 24806074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).