N-[6-(4-cyclohexylpiperazin-1-yl)hexyl]-6-methoxy-4-methylquinolin-8-amine

C27H42N4O — CID 608614

IUPACN-[6-(4-cyclohexylpiperazin-1-yl)hexyl]-6-methoxy-4-methylquinolin-8-amine
SMILESCOc1cc(NCCCCCCN2CCN(C3CCCCC3)CC2)c2nccc(C)c2c1
InChIInChI=1S/C27H42N4O/c1-22-12-14-29-27-25(22)20-24(32-2)21-26(27)28-13-8-3-4-9-15-30-16-18-31(19-17-30)23-10-6-5-7-11-23/h12,14,20-21,23,28H,3-11,13,15-19H2,1-2H3
InChIKeyMOJUHLGWTPXCLB-UHFFFAOYSA-N
MW438.66 g/mol
LogP5.47
Rot. Bonds10

About N-[6-(4-cyclohexylpiperazin-1-yl)hexyl]-6-methoxy-4-methylquinolin-8-amine

N-[6-(4-cyclohexylpiperazin-1-yl)hexyl]-6-methoxy-4-methylquinolin-8-amine (PubChem CID 608614) has the molecular formula C27H42N4O and a molecular weight of 438.66 g/mol. Its IUPAC name is N-[6-(4-cyclohexylpiperazin-1-yl)hexyl]-6-methoxy-4-methylquinolin-8-amine.

Molecular Properties

Compound NameN-[6-(4-cyclohexylpiperazin-1-yl)hexyl]-6-methoxy-4-methylquinolin-8-amine
PubChem CID608614
Molecular FormulaC27H42N4O
Molecular Weight438.66 g/mol
Exact Mass438.34
IUPAC NameN-[6-(4-cyclohexylpiperazin-1-yl)hexyl]-6-methoxy-4-methylquinolin-8-amine
SMILESCOc1cc(NCCCCCCN2CCN(C3CCCCC3)CC2)c2nccc(C)c2c1
InChIInChI=1S/C27H42N4O/c1-22-12-14-29-27-25(22)20-24(32-2)21-26(27)28-13-8-3-4-9-15-30-16-18-31(19-17-30)23-10-6-5-7-11-23/h12,14,20-21,23,28H,3-11,13,15-19H2,1-2H3
InChIKeyMOJUHLGWTPXCLB-UHFFFAOYSA-N
XLogP5.47
TPSA40.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.66
LogP ≤ 55.47
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-[6-(4-cyclohexylpiperazin-1-yl)hexyl]-6-methoxy-4-methylquinolin-8-amine?
The IUPAC name of N-[6-(4-cyclohexylpiperazin-1-yl)hexyl]-6-methoxy-4-methylquinolin-8-amine (CID 608614) is N-[6-(4-cyclohexylpiperazin-1-yl)hexyl]-6-methoxy-4-methylquinolin-8-amine.
What is the SMILES notation for N-[6-(4-cyclohexylpiperazin-1-yl)hexyl]-6-methoxy-4-methylquinolin-8-amine?
The canonical SMILES for N-[6-(4-cyclohexylpiperazin-1-yl)hexyl]-6-methoxy-4-methylquinolin-8-amine is COc1cc(NCCCCCCN2CCN(C3CCCCC3)CC2)c2nccc(C)c2c1.
What is the InChIKey of N-[6-(4-cyclohexylpiperazin-1-yl)hexyl]-6-methoxy-4-methylquinolin-8-amine?
The InChIKey is MOJUHLGWTPXCLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H42N4O/c1-22-12-14-29-27-25(22)20-24(32-2)21-26(27)28-13-8-3-4-9-15-30-16-18-31(19-17-30)23-10-6-5-7-11-23/h12,14,20-21,23,28H,3-11,13,15-19H2,1-2H3.
What are the key properties of N-[6-(4-cyclohexylpiperazin-1-yl)hexyl]-6-methoxy-4-methylquinolin-8-amine?
N-[6-(4-cyclohexylpiperazin-1-yl)hexyl]-6-methoxy-4-methylquinolin-8-amine has a molecular weight of 438.66 g/mol, XLogP of 5.47, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-cyclohexylpiperazin-1-yl)hexyl]-6-methoxy-4-methylquinolin-8-amine is sourced from PubChem (CID 608614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).