[2-[2-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl] 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate

C23H25N3O5 — CID 46646037

IUPAC[2-[2-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl] 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate
SMILESCC(C)CNC(=O)c1ccccc1NC(=O)COC(=O)c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C23H25N3O5/c1-14(2)12-24-22(29)17-5-3-4-6-19(17)26-21(28)13-31-23(30)16-7-9-18-15(11-16)8-10-20(27)25-18/h3-7,9,11,14H,8,10,12-13H2,1-2H3,(H,24,29)(H,25,27)(H,26,28)
InChIKeyPVMLRRJFXUHANQ-UHFFFAOYSA-N
MW423.47 g/mol
LogP2.75
Rot. Bonds7

About [2-[2-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl] 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate

[2-[2-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl] 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate (PubChem CID 46646037) has the molecular formula C23H25N3O5 and a molecular weight of 423.47 g/mol. Its IUPAC name is [2-[2-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl] 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate.

Molecular Properties

Compound Name[2-[2-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl] 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate
PubChem CID46646037
Molecular FormulaC23H25N3O5
Molecular Weight423.47 g/mol
Exact Mass423.18
IUPAC Name[2-[2-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl] 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate
SMILESCC(C)CNC(=O)c1ccccc1NC(=O)COC(=O)c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C23H25N3O5/c1-14(2)12-24-22(29)17-5-3-4-6-19(17)26-21(28)13-31-23(30)16-7-9-18-15(11-16)8-10-20(27)25-18/h3-7,9,11,14H,8,10,12-13H2,1-2H3,(H,24,29)(H,25,27)(H,26,28)
InChIKeyPVMLRRJFXUHANQ-UHFFFAOYSA-N
XLogP2.75
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.47
LogP ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze [2-[2-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl] 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetyl]amino]-N-propan-2-ylbenzamide
CID 55672954
[2-[1-(2-methylphenyl)ethylamino]-2-oxoethyl] 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate
CID 18101136
[2-[2-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl] 3-methyl-4-nitrobenzoate
CID 8630601
N-(2-carbamoylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 110761862
[2-[2-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl] 5-propan-2-yl-1H-pyrazole-4-carboxylate
CID 55665653
N-methyl-2-[[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetyl]amino]benzamide
CID 24670388
N-benzyl-2-[[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetyl]amino]benzamide
CID 24676625
[2-[2-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl] (1S)-2,2-dichloro-1-methylcyclopropane-1-carboxylate
CID 9454637
N-(3-amino-2-methylpropyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 115271606
methyl 2-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carbonyl)amino]benzoate
CID 108784479
methyl 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate
CID 9451992
N-(2-methylpropyl)-2-[(2-phenoxyacetyl)amino]benzamide
CID 18089922

Frequently Asked Questions

What is the IUPAC name of [2-[2-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl] 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate?
The IUPAC name of [2-[2-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl] 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate (CID 46646037) is [2-[2-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl] 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate.
What is the SMILES notation for [2-[2-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl] 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate?
The canonical SMILES for [2-[2-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl] 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate is CC(C)CNC(=O)c1ccccc1NC(=O)COC(=O)c1ccc2c(c1)CCC(=O)N2.
What is the InChIKey of [2-[2-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl] 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate?
The InChIKey is PVMLRRJFXUHANQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O5/c1-14(2)12-24-22(29)17-5-3-4-6-19(17)26-21(28)13-31-23(30)16-7-9-18-15(11-16)8-10-20(27)25-18/h3-7,9,11,14H,8,10,12-13H2,1-2H3,(H,24,29)(H,25,27)(H,26,28).
What are the key properties of [2-[2-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl] 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate?
[2-[2-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl] 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate has a molecular weight of 423.47 g/mol, XLogP of 2.75, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl] 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate is sourced from PubChem (CID 46646037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).