3-(3,5-dimethylphenyl)-4-oxo-1,2-dihydroquinoline-3-carboxamide

C18H18N2O2 — CID 174519781

IUPAC3-(3,5-dimethylphenyl)-4-oxo-1,2-dihydroquinoline-3-carboxamide
SMILESCc1cc(C)cc(C2(C(N)=O)CNc3ccccc3C2=O)c1
InChIInChI=1S/C18H18N2O2/c1-11-7-12(2)9-13(8-11)18(17(19)22)10-20-15-6-4-3-5-14(15)16(18)21/h3-9,20H,10H2,1-2H3,(H2,19,22)
InChIKeyXJZRVYGANFUATR-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.33
Rot. Bonds2

About 3-(3,5-dimethylphenyl)-4-oxo-1,2-dihydroquinoline-3-carboxamide

3-(3,5-dimethylphenyl)-4-oxo-1,2-dihydroquinoline-3-carboxamide (PubChem CID 174519781) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is 3-(3,5-dimethylphenyl)-4-oxo-1,2-dihydroquinoline-3-carboxamide.

Molecular Properties

Compound Name3-(3,5-dimethylphenyl)-4-oxo-1,2-dihydroquinoline-3-carboxamide
PubChem CID174519781
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name3-(3,5-dimethylphenyl)-4-oxo-1,2-dihydroquinoline-3-carboxamide
SMILESCc1cc(C)cc(C2(C(N)=O)CNc3ccccc3C2=O)c1
InChIInChI=1S/C18H18N2O2/c1-11-7-12(2)9-13(8-11)18(17(19)22)10-20-15-6-4-3-5-14(15)16(18)21/h3-9,20H,10H2,1-2H3,(H2,19,22)
InChIKeyXJZRVYGANFUATR-UHFFFAOYSA-N
XLogP2.33
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-(3-oxo-2-phenyl-1H-indol-2-yl)acetate
CID 122364960
3,3-bis[(4-chlorophenyl)selanyl]-1,2-dihydroquinolin-4-one
CID 175068401
2-methyl-2-(2-oxopropyl)-1H-indol-3-one
CID 121014651
2-oxo-3-phenylazepane-3-carboxamide
CID 14763630
2-carbamoyl-1,3-dihydrobenzimidazole-2-carboxylic acid
CID 68790453
3-amino-3-(1,2-dihydroquinolin-4-yloxy)pentan-2-one;hydrochloride
CID 139776608
ethyl 4-oxo-2-phenyl-1,3-dihydroquinazoline-2-carboxylate
CID 5177010
2-[(7-fluoro-3-methyl-4-oxo-1,2-dihydroquinolin-3-yl)sulfinyl]acetic acid
CID 23438868
ethyl 2-(2-chloroprop-2-enyl)-3-oxo-1H-indole-2-carboxylate
CID 142664177
diethyl 2-[2-[4-(dimethylamino)phenyl]-3-oxo-1H-indol-2-yl]propanedioate
CID 13334274
2,3-dihydro-1H-quinolin-4-one;ethane
CID 91530065
(3S,4R,5S)-3-methyl-2,6-dioxo-7-azatricyclo[6.4.0.03,5]dodeca-1(12),8,10-triene-4-carboxylic acid
CID 73440626

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylphenyl)-4-oxo-1,2-dihydroquinoline-3-carboxamide?
The IUPAC name of 3-(3,5-dimethylphenyl)-4-oxo-1,2-dihydroquinoline-3-carboxamide (CID 174519781) is 3-(3,5-dimethylphenyl)-4-oxo-1,2-dihydroquinoline-3-carboxamide.
What is the SMILES notation for 3-(3,5-dimethylphenyl)-4-oxo-1,2-dihydroquinoline-3-carboxamide?
The canonical SMILES for 3-(3,5-dimethylphenyl)-4-oxo-1,2-dihydroquinoline-3-carboxamide is Cc1cc(C)cc(C2(C(N)=O)CNc3ccccc3C2=O)c1.
What is the InChIKey of 3-(3,5-dimethylphenyl)-4-oxo-1,2-dihydroquinoline-3-carboxamide?
The InChIKey is XJZRVYGANFUATR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-11-7-12(2)9-13(8-11)18(17(19)22)10-20-15-6-4-3-5-14(15)16(18)21/h3-9,20H,10H2,1-2H3,(H2,19,22).
What are the key properties of 3-(3,5-dimethylphenyl)-4-oxo-1,2-dihydroquinoline-3-carboxamide?
3-(3,5-dimethylphenyl)-4-oxo-1,2-dihydroquinoline-3-carboxamide has a molecular weight of 294.35 g/mol, XLogP of 2.33, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylphenyl)-4-oxo-1,2-dihydroquinoline-3-carboxamide is sourced from PubChem (CID 174519781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).