1-(3,5-dimethylphenyl)-7-(hexylamino)-2-(4-methylphenyl)quinolin-4-one

C30H34N2O — CID 102491132

IUPAC1-(3,5-dimethylphenyl)-7-(hexylamino)-2-(4-methylphenyl)quinolin-4-one
SMILESCCCCCCNc1ccc2c(=O)cc(-c3ccc(C)cc3)n(-c3cc(C)cc(C)c3)c2c1
InChIInChI=1S/C30H34N2O/c1-5-6-7-8-15-31-25-13-14-27-29(19-25)32(26-17-22(3)16-23(4)18-26)28(20-30(27)33)24-11-9-21(2)10-12-24/h9-14,16-20,31H,5-8,15H2,1-4H3
InChIKeyGPVDWKWBKGZTIW-UHFFFAOYSA-N
MW438.62 g/mol
LogP7.58
Rot. Bonds8

About 1-(3,5-dimethylphenyl)-7-(hexylamino)-2-(4-methylphenyl)quinolin-4-one

1-(3,5-dimethylphenyl)-7-(hexylamino)-2-(4-methylphenyl)quinolin-4-one (PubChem CID 102491132) has the molecular formula C30H34N2O and a molecular weight of 438.62 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-7-(hexylamino)-2-(4-methylphenyl)quinolin-4-one.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-7-(hexylamino)-2-(4-methylphenyl)quinolin-4-one
PubChem CID102491132
Molecular FormulaC30H34N2O
Molecular Weight438.62 g/mol
Exact Mass438.27
IUPAC Name1-(3,5-dimethylphenyl)-7-(hexylamino)-2-(4-methylphenyl)quinolin-4-one
SMILESCCCCCCNc1ccc2c(=O)cc(-c3ccc(C)cc3)n(-c3cc(C)cc(C)c3)c2c1
InChIInChI=1S/C30H34N2O/c1-5-6-7-8-15-31-25-13-14-27-29(19-25)32(26-17-22(3)16-23(4)18-26)28(20-30(27)33)24-11-9-21(2)10-12-24/h9-14,16-20,31H,5-8,15H2,1-4H3
InChIKeyGPVDWKWBKGZTIW-UHFFFAOYSA-N
XLogP7.58
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.62
LogP ≤ 57.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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3-N,10-N-didodecylpicene-3,10-diamine
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2-(dodecylamino)-5-[4-(dodecylamino)phenyl]cyclohepta-2,4,6-trien-1-one
CID 101207147
4-carbazol-9-yl-N-pentylaniline
CID 66968875
2-(4-chlorophenyl)-6-(hexylamino)chromen-4-one
CID 71424272
8-methyl-N-octyl-[1]benzothiolo[3,2-b][1]benzothiol-3-amine
CID 126613725
3-methyl-7-(octadecylamino)-1H-quinazoline-2,4-dione
CID 14393061
2-[5-(hexylamino)-2-phenylphenyl]-6-methylchromen-4-one
CID 71424270
N-decyl-3-fluoro-4-methylaniline
CID 63488478
4-[4-(octadecylamino)phenyl]aniline
CID 102249845

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-7-(hexylamino)-2-(4-methylphenyl)quinolin-4-one?
The IUPAC name of 1-(3,5-dimethylphenyl)-7-(hexylamino)-2-(4-methylphenyl)quinolin-4-one (CID 102491132) is 1-(3,5-dimethylphenyl)-7-(hexylamino)-2-(4-methylphenyl)quinolin-4-one.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-7-(hexylamino)-2-(4-methylphenyl)quinolin-4-one?
The canonical SMILES for 1-(3,5-dimethylphenyl)-7-(hexylamino)-2-(4-methylphenyl)quinolin-4-one is CCCCCCNc1ccc2c(=O)cc(-c3ccc(C)cc3)n(-c3cc(C)cc(C)c3)c2c1.
What is the InChIKey of 1-(3,5-dimethylphenyl)-7-(hexylamino)-2-(4-methylphenyl)quinolin-4-one?
The InChIKey is GPVDWKWBKGZTIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N2O/c1-5-6-7-8-15-31-25-13-14-27-29(19-25)32(26-17-22(3)16-23(4)18-26)28(20-30(27)33)24-11-9-21(2)10-12-24/h9-14,16-20,31H,5-8,15H2,1-4H3.
What are the key properties of 1-(3,5-dimethylphenyl)-7-(hexylamino)-2-(4-methylphenyl)quinolin-4-one?
1-(3,5-dimethylphenyl)-7-(hexylamino)-2-(4-methylphenyl)quinolin-4-one has a molecular weight of 438.62 g/mol, XLogP of 7.58, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-7-(hexylamino)-2-(4-methylphenyl)quinolin-4-one is sourced from PubChem (CID 102491132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).