N-[(4-heptylphenyl)methyl]quinolin-8-amine

C23H28N2 — CID 71429498

IUPACN-[(4-heptylphenyl)methyl]quinolin-8-amine
SMILESCCCCCCCc1ccc(CNc2cccc3cccnc23)cc1
InChIInChI=1S/C23H28N2/c1-2-3-4-5-6-9-19-13-15-20(16-14-19)18-25-22-12-7-10-21-11-8-17-24-23(21)22/h7-8,10-17,25H,2-6,9,18H2,1H3
InChIKeyOKJFMXBESIRJLH-UHFFFAOYSA-N
MW332.49 g/mol
LogP6.36
Rot. Bonds9

About N-[(4-heptylphenyl)methyl]quinolin-8-amine

N-[(4-heptylphenyl)methyl]quinolin-8-amine (PubChem CID 71429498) has the molecular formula C23H28N2 and a molecular weight of 332.49 g/mol. Its IUPAC name is N-[(4-heptylphenyl)methyl]quinolin-8-amine.

Molecular Properties

Compound NameN-[(4-heptylphenyl)methyl]quinolin-8-amine
PubChem CID71429498
Molecular FormulaC23H28N2
Molecular Weight332.49 g/mol
Exact Mass332.23
IUPAC NameN-[(4-heptylphenyl)methyl]quinolin-8-amine
SMILESCCCCCCCc1ccc(CNc2cccc3cccnc23)cc1
InChIInChI=1S/C23H28N2/c1-2-3-4-5-6-9-19-13-15-20(16-14-19)18-25-22-12-7-10-21-11-8-17-24-23(21)22/h7-8,10-17,25H,2-6,9,18H2,1H3
InChIKeyOKJFMXBESIRJLH-UHFFFAOYSA-N
XLogP6.36
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.49
LogP ≤ 56.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-heptylquinolin-8-amine
CID 43130175
N-quinolin-8-yl-4-tridecylbenzenesulfonamide
CID 102007956
N-[(4-dodecylphenyl)methyl]naphthalen-1-amine
CID 71381127
N-methyl-4-[(quinolin-8-ylamino)methyl]benzamide
CID 157391991
N-[(3-fluoro-4-methylphenyl)methyl]quinolin-8-amine
CID 63647013
N-(1H-pyrrol-3-ylmethyl)quinolin-8-amine
CID 66408480
N-quinolin-8-ylundecanamide
CID 3567928
N-[(3-propylimidazol-4-yl)methyl]quinolin-8-amine
CID 66135184
N-(pyridin-2-ylmethyl)quinolin-8-amine
CID 20827882
2-ethyl-N-quinolin-8-ylundecanamide
CID 72712401
2-heptyl-1,10-phenanthroline
CID 150280165
N-[(2-methylpyrimidin-4-yl)methyl]quinolin-8-amine
CID 62749451

Frequently Asked Questions

What is the IUPAC name of N-[(4-heptylphenyl)methyl]quinolin-8-amine?
The IUPAC name of N-[(4-heptylphenyl)methyl]quinolin-8-amine (CID 71429498) is N-[(4-heptylphenyl)methyl]quinolin-8-amine.
What is the SMILES notation for N-[(4-heptylphenyl)methyl]quinolin-8-amine?
The canonical SMILES for N-[(4-heptylphenyl)methyl]quinolin-8-amine is CCCCCCCc1ccc(CNc2cccc3cccnc23)cc1.
What is the InChIKey of N-[(4-heptylphenyl)methyl]quinolin-8-amine?
The InChIKey is OKJFMXBESIRJLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2/c1-2-3-4-5-6-9-19-13-15-20(16-14-19)18-25-22-12-7-10-21-11-8-17-24-23(21)22/h7-8,10-17,25H,2-6,9,18H2,1H3.
What are the key properties of N-[(4-heptylphenyl)methyl]quinolin-8-amine?
N-[(4-heptylphenyl)methyl]quinolin-8-amine has a molecular weight of 332.49 g/mol, XLogP of 6.36, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-heptylphenyl)methyl]quinolin-8-amine is sourced from PubChem (CID 71429498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).