N-[6-(3,4-dihydro-2H-quinoxalin-1-yl)hexyl]-6-methoxy-4-methylquinolin-8-amine

C25H32N4O — CID 590409

IUPACN-[6-(3,4-dihydro-2H-quinoxalin-1-yl)hexyl]-6-methoxy-4-methylquinolin-8-amine
SMILESCOc1cc(NCCCCCCN2CCNc3ccccc32)c2nccc(C)c2c1
InChIInChI=1S/C25H32N4O/c1-19-11-13-28-25-21(19)17-20(30-2)18-23(25)26-12-7-3-4-8-15-29-16-14-27-22-9-5-6-10-24(22)29/h5-6,9-11,13,17-18,26-27H,3-4,7-8,12,14-16H2,1-2H3
InChIKeyWHBQSXHJMILARQ-UHFFFAOYSA-N
MW404.56 g/mol
LogP5.46
Rot. Bonds9

About N-[6-(3,4-dihydro-2H-quinoxalin-1-yl)hexyl]-6-methoxy-4-methylquinolin-8-amine

N-[6-(3,4-dihydro-2H-quinoxalin-1-yl)hexyl]-6-methoxy-4-methylquinolin-8-amine (PubChem CID 590409) has the molecular formula C25H32N4O and a molecular weight of 404.56 g/mol. Its IUPAC name is N-[6-(3,4-dihydro-2H-quinoxalin-1-yl)hexyl]-6-methoxy-4-methylquinolin-8-amine.

Molecular Properties

Compound NameN-[6-(3,4-dihydro-2H-quinoxalin-1-yl)hexyl]-6-methoxy-4-methylquinolin-8-amine
PubChem CID590409
Molecular FormulaC25H32N4O
Molecular Weight404.56 g/mol
Exact Mass404.26
IUPAC NameN-[6-(3,4-dihydro-2H-quinoxalin-1-yl)hexyl]-6-methoxy-4-methylquinolin-8-amine
SMILESCOc1cc(NCCCCCCN2CCNc3ccccc32)c2nccc(C)c2c1
InChIInChI=1S/C25H32N4O/c1-19-11-13-28-25-21(19)17-20(30-2)18-23(25)26-12-7-3-4-8-15-29-16-14-27-22-9-5-6-10-24(22)29/h5-6,9-11,13,17-18,26-27H,3-4,7-8,12,14-16H2,1-2H3
InChIKeyWHBQSXHJMILARQ-UHFFFAOYSA-N
XLogP5.46
TPSA49.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.56
LogP ≤ 55.46
H-Bond Donors ≤ 52
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-[6-(3,4-dihydro-2H-quinoxalin-1-yl)hexyl]-6-methoxy-4-methylquinolin-8-amine?
The IUPAC name of N-[6-(3,4-dihydro-2H-quinoxalin-1-yl)hexyl]-6-methoxy-4-methylquinolin-8-amine (CID 590409) is N-[6-(3,4-dihydro-2H-quinoxalin-1-yl)hexyl]-6-methoxy-4-methylquinolin-8-amine.
What is the SMILES notation for N-[6-(3,4-dihydro-2H-quinoxalin-1-yl)hexyl]-6-methoxy-4-methylquinolin-8-amine?
The canonical SMILES for N-[6-(3,4-dihydro-2H-quinoxalin-1-yl)hexyl]-6-methoxy-4-methylquinolin-8-amine is COc1cc(NCCCCCCN2CCNc3ccccc32)c2nccc(C)c2c1.
What is the InChIKey of N-[6-(3,4-dihydro-2H-quinoxalin-1-yl)hexyl]-6-methoxy-4-methylquinolin-8-amine?
The InChIKey is WHBQSXHJMILARQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O/c1-19-11-13-28-25-21(19)17-20(30-2)18-23(25)26-12-7-3-4-8-15-29-16-14-27-22-9-5-6-10-24(22)29/h5-6,9-11,13,17-18,26-27H,3-4,7-8,12,14-16H2,1-2H3.
What are the key properties of N-[6-(3,4-dihydro-2H-quinoxalin-1-yl)hexyl]-6-methoxy-4-methylquinolin-8-amine?
N-[6-(3,4-dihydro-2H-quinoxalin-1-yl)hexyl]-6-methoxy-4-methylquinolin-8-amine has a molecular weight of 404.56 g/mol, XLogP of 5.46, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3,4-dihydro-2H-quinoxalin-1-yl)hexyl]-6-methoxy-4-methylquinolin-8-amine is sourced from PubChem (CID 590409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).