ethyl 1-(4-methylphenyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-4-carboxylate

C19H19NO4 — CID 102367438

IUPACethyl 1-(4-methylphenyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-4-carboxylate
SMILESCCOC(=O)c1cc(=O)n(-c2ccc(C)cc2)c2c1C(=O)CCC2
InChIInChI=1S/C19H19NO4/c1-3-24-19(23)14-11-17(22)20(13-9-7-12(2)8-10-13)15-5-4-6-16(21)18(14)15/h7-11H,3-6H2,1-2H3
InChIKeyVOGOVIHLHIKFDJ-UHFFFAOYSA-N
MW325.36 g/mol
LogP2.84
Rot. Bonds3

About ethyl 1-(4-methylphenyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-4-carboxylate

ethyl 1-(4-methylphenyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-4-carboxylate (PubChem CID 102367438) has the molecular formula C19H19NO4 and a molecular weight of 325.36 g/mol. Its IUPAC name is ethyl 1-(4-methylphenyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(4-methylphenyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-4-carboxylate
PubChem CID102367438
Molecular FormulaC19H19NO4
Molecular Weight325.36 g/mol
Exact Mass325.13
IUPAC Nameethyl 1-(4-methylphenyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-4-carboxylate
SMILESCCOC(=O)c1cc(=O)n(-c2ccc(C)cc2)c2c1C(=O)CCC2
InChIInChI=1S/C19H19NO4/c1-3-24-19(23)14-11-17(22)20(13-9-7-12(2)8-10-13)15-5-4-6-16(21)18(14)15/h7-11H,3-6H2,1-2H3
InChIKeyVOGOVIHLHIKFDJ-UHFFFAOYSA-N
XLogP2.84
TPSA65.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 1-(4-chlorophenyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-4-carboxylate
CID 102367447
ethyl 1-methyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carboxylate
CID 97036567
ethyl 3-[(2,5-dioxo-1-phenyl-7,8-dihydro-6H-quinoline-3-carbonyl)amino]-3-(4-methylphenyl)propanoate
CID 5299395
ethyl 1-[(E)-3-bromoprop-2-enyl]-4,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxylate
CID 59627848
2-bromo-4-(2,3-dimethyl-4-oxo-6,7-dihydro-5H-indol-1-yl)benzamide
CID 145288536
ethyl 4,7-bis(3,5-dimethylphenyl)-2,3-dihydro-1H-indene-5-carboxylate
CID 53344379
ethyl 6-[(2-chloro-4-methylphenyl)methyl]-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylate
CID 126546303
ethyl 1-(4-methylphenyl)-1,2,4-triazole-3-carboxylate
CID 71304242
2-(3-ethoxycarbonyl-4-oxo-6,7-dihydro-5H-indazol-1-yl)acetic acid
CID 82590583
2-hydroxyethyl 1-[(4-methylphenyl)methyl]-4-oxo-6,7-dihydro-5H-indole-2-carboxylate
CID 139547915
ethyl 4-methyl-2-(4-methylbenzoyl)benzoate
CID 102187690
diethyl 2-(4-ethoxycarbonylphenyl)-1,3-dimethyl-6-oxocyclohepta[c]pyrrole-5,7-dicarboxylate
CID 16647708

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(4-methylphenyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-4-carboxylate?
The IUPAC name of ethyl 1-(4-methylphenyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-4-carboxylate (CID 102367438) is ethyl 1-(4-methylphenyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-4-carboxylate.
What is the SMILES notation for ethyl 1-(4-methylphenyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-4-carboxylate?
The canonical SMILES for ethyl 1-(4-methylphenyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-4-carboxylate is CCOC(=O)c1cc(=O)n(-c2ccc(C)cc2)c2c1C(=O)CCC2.
What is the InChIKey of ethyl 1-(4-methylphenyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-4-carboxylate?
The InChIKey is VOGOVIHLHIKFDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO4/c1-3-24-19(23)14-11-17(22)20(13-9-7-12(2)8-10-13)15-5-4-6-16(21)18(14)15/h7-11H,3-6H2,1-2H3.
What are the key properties of ethyl 1-(4-methylphenyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-4-carboxylate?
ethyl 1-(4-methylphenyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-4-carboxylate has a molecular weight of 325.36 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(4-methylphenyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-4-carboxylate is sourced from PubChem (CID 102367438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).