5,7-dimethyl-3-(4-methylphenyl)-1H-quinolin-2-one

C18H17NO — CID 21135871

IUPAC5,7-dimethyl-3-(4-methylphenyl)-1H-quinolin-2-one
SMILESCc1ccc(-c2cc3c(C)cc(C)cc3[nH]c2=O)cc1
InChIInChI=1S/C18H17NO/c1-11-4-6-14(7-5-11)16-10-15-13(3)8-12(2)9-17(15)19-18(16)20/h4-10H,1-3H3,(H,19,20)
InChIKeyRAPPXOZROKACDC-UHFFFAOYSA-N
MW263.34 g/mol
LogP4.12
Rot. Bonds1

About 5,7-dimethyl-3-(4-methylphenyl)-1H-quinolin-2-one

5,7-dimethyl-3-(4-methylphenyl)-1H-quinolin-2-one (PubChem CID 21135871) has the molecular formula C18H17NO and a molecular weight of 263.34 g/mol. Its IUPAC name is 5,7-dimethyl-3-(4-methylphenyl)-1H-quinolin-2-one.

Molecular Properties

Compound Name5,7-dimethyl-3-(4-methylphenyl)-1H-quinolin-2-one
PubChem CID21135871
Molecular FormulaC18H17NO
Molecular Weight263.34 g/mol
Exact Mass263.13
IUPAC Name5,7-dimethyl-3-(4-methylphenyl)-1H-quinolin-2-one
SMILESCc1ccc(-c2cc3c(C)cc(C)cc3[nH]c2=O)cc1
InChIInChI=1S/C18H17NO/c1-11-4-6-14(7-5-11)16-10-15-13(3)8-12(2)9-17(15)19-18(16)20/h4-10H,1-3H3,(H,19,20)
InChIKeyRAPPXOZROKACDC-UHFFFAOYSA-N
XLogP4.12
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5,7-dimethyl-3-(4-methylphenyl)-1H-quinoline-2-thione
CID 21135872
6,8-dimethyl-1H-1-benzazepine-2,3-dione
CID 23354339
6-chloro-3-(4-methylphenyl)-1H-quinolin-2-one
CID 166443744
8-methyl-5-phenyl-1H-1-benzazepine-2,3-dione
CID 57212353
N'-hydroxy-5,7-dimethyl-2-oxo-1H-quinoline-3-carboximidamide
CID 135704524
3,7-dimethyl-1H-quinolin-2-one
CID 12693830
3-[3-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]propanoic acid
CID 135907614
N-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]methanesulfonamide
CID 110325510
3-methyl-5H-phenanthridin-6-one
CID 59877971
5,7-dimethyl-3-pyrrolidin-2-yl-1H-quinolin-2-one
CID 84630290
5,7-dimethyl-3-phenyl-1H-1,8-naphthyridin-2-one
CID 23335399
6-(4-chlorophenyl)-7-methyl-2-sulfanylidene-1H-quinazolin-4-one
CID 59487927

Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-3-(4-methylphenyl)-1H-quinolin-2-one?
The IUPAC name of 5,7-dimethyl-3-(4-methylphenyl)-1H-quinolin-2-one (CID 21135871) is 5,7-dimethyl-3-(4-methylphenyl)-1H-quinolin-2-one.
What is the SMILES notation for 5,7-dimethyl-3-(4-methylphenyl)-1H-quinolin-2-one?
The canonical SMILES for 5,7-dimethyl-3-(4-methylphenyl)-1H-quinolin-2-one is Cc1ccc(-c2cc3c(C)cc(C)cc3[nH]c2=O)cc1.
What is the InChIKey of 5,7-dimethyl-3-(4-methylphenyl)-1H-quinolin-2-one?
The InChIKey is RAPPXOZROKACDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO/c1-11-4-6-14(7-5-11)16-10-15-13(3)8-12(2)9-17(15)19-18(16)20/h4-10H,1-3H3,(H,19,20).
What are the key properties of 5,7-dimethyl-3-(4-methylphenyl)-1H-quinolin-2-one?
5,7-dimethyl-3-(4-methylphenyl)-1H-quinolin-2-one has a molecular weight of 263.34 g/mol, XLogP of 4.12, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-3-(4-methylphenyl)-1H-quinolin-2-one is sourced from PubChem (CID 21135871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).