5-amino-1,7-dimethyl-3-(4-methylphenyl)quinolin-4-one

C18H18N2O — CID 59110393

IUPAC5-amino-1,7-dimethyl-3-(4-methylphenyl)quinolin-4-one
SMILESCc1ccc(-c2cn(C)c3cc(C)cc(N)c3c2=O)cc1
InChIInChI=1S/C18H18N2O/c1-11-4-6-13(7-5-11)14-10-20(3)16-9-12(2)8-15(19)17(16)18(14)21/h4-10H,19H2,1-3H3
InChIKeyXYMMVHGNYKTDGT-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.40
Rot. Bonds1

About 5-amino-1,7-dimethyl-3-(4-methylphenyl)quinolin-4-one

5-amino-1,7-dimethyl-3-(4-methylphenyl)quinolin-4-one (PubChem CID 59110393) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is 5-amino-1,7-dimethyl-3-(4-methylphenyl)quinolin-4-one.

Molecular Properties

Compound Name5-amino-1,7-dimethyl-3-(4-methylphenyl)quinolin-4-one
PubChem CID59110393
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC Name5-amino-1,7-dimethyl-3-(4-methylphenyl)quinolin-4-one
SMILESCc1ccc(-c2cn(C)c3cc(C)cc(N)c3c2=O)cc1
InChIInChI=1S/C18H18N2O/c1-11-4-6-13(7-5-11)14-10-20(3)16-9-12(2)8-15(19)17(16)18(14)21/h4-10H,19H2,1-3H3
InChIKeyXYMMVHGNYKTDGT-UHFFFAOYSA-N
XLogP3.40
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,7-dimethyl-3-(4-methylphenyl)quinolin-4-one
CID 59110361
3-(4-chlorophenyl)-1,6-dimethylquinolin-4-one
CID 166443945
3-(4-bromophenyl)-1,6-dimethylquinolin-4-one
CID 166443946
1-[2-(dimethylamino)ethyl]-5,7-dimethyl-3-(4-methylphenyl)quinolin-4-one
CID 59110330
1-methyl-3-(4-methylphenyl)indole
CID 58931542
5-ethenyl-7-methoxy-3-(4-methoxyphenyl)-1-methylquinolin-4-one
CID 18771399
7-methoxy-3-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methylamino]-1-methylquinolin-4-one
CID 18771355
6-[1-methyl-3-(4-methylphenyl)indol-5-yl]pyridine-2-carboxamide
CID 118425006
2-[7-methyl-3-(4-methylphenyl)-4-oxoquinolin-1-yl]acetonitrile
CID 59110332
2-amino-4,7-dimethylcyclohepta-2,4,6-trien-1-one
CID 55289737
3-(4-aminophenyl)-2,5-dimethylaniline
CID 68786442
6-bromo-3-(4-methoxyphenyl)-1-methylquinolin-4-one
CID 166442294

Frequently Asked Questions

What is the IUPAC name of 5-amino-1,7-dimethyl-3-(4-methylphenyl)quinolin-4-one?
The IUPAC name of 5-amino-1,7-dimethyl-3-(4-methylphenyl)quinolin-4-one (CID 59110393) is 5-amino-1,7-dimethyl-3-(4-methylphenyl)quinolin-4-one.
What is the SMILES notation for 5-amino-1,7-dimethyl-3-(4-methylphenyl)quinolin-4-one?
The canonical SMILES for 5-amino-1,7-dimethyl-3-(4-methylphenyl)quinolin-4-one is Cc1ccc(-c2cn(C)c3cc(C)cc(N)c3c2=O)cc1.
What is the InChIKey of 5-amino-1,7-dimethyl-3-(4-methylphenyl)quinolin-4-one?
The InChIKey is XYMMVHGNYKTDGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O/c1-11-4-6-13(7-5-11)14-10-20(3)16-9-12(2)8-15(19)17(16)18(14)21/h4-10H,19H2,1-3H3.
What are the key properties of 5-amino-1,7-dimethyl-3-(4-methylphenyl)quinolin-4-one?
5-amino-1,7-dimethyl-3-(4-methylphenyl)quinolin-4-one has a molecular weight of 278.36 g/mol, XLogP of 3.40, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1,7-dimethyl-3-(4-methylphenyl)quinolin-4-one is sourced from PubChem (CID 59110393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).