ethyl 3-[(2,5-dioxo-1-phenyl-7,8-dihydro-6H-quinoline-3-carbonyl)amino]-3-(4-methylphenyl)propanoate

C28H28N2O5 — CID 5299395

IUPACethyl 3-[(2,5-dioxo-1-phenyl-7,8-dihydro-6H-quinoline-3-carbonyl)amino]-3-(4-methylphenyl)propanoate
SMILESCCOC(=O)CC(NC(=O)c1cc2c(n(-c3ccccc3)c1=O)CCCC2=O)c1ccc(C)cc1
InChIInChI=1S/C28H28N2O5/c1-3-35-26(32)17-23(19-14-12-18(2)13-15-19)29-27(33)22-16-21-24(10-7-11-25(21)31)30(28(22)34)20-8-5-4-6-9-20/h4-6,8-9,12-16,23H,3,7,10-11,17H2,1-2H3,(H,29,33)
InChIKeyOWPZECBUVYWCKQ-UHFFFAOYSA-N
MW472.54 g/mol
LogP4.09
Rot. Bonds7

About ethyl 3-[(2,5-dioxo-1-phenyl-7,8-dihydro-6H-quinoline-3-carbonyl)amino]-3-(4-methylphenyl)propanoate

ethyl 3-[(2,5-dioxo-1-phenyl-7,8-dihydro-6H-quinoline-3-carbonyl)amino]-3-(4-methylphenyl)propanoate (PubChem CID 5299395) has the molecular formula C28H28N2O5 and a molecular weight of 472.54 g/mol. Its IUPAC name is ethyl 3-[(2,5-dioxo-1-phenyl-7,8-dihydro-6H-quinoline-3-carbonyl)amino]-3-(4-methylphenyl)propanoate.

Molecular Properties

Compound Nameethyl 3-[(2,5-dioxo-1-phenyl-7,8-dihydro-6H-quinoline-3-carbonyl)amino]-3-(4-methylphenyl)propanoate
PubChem CID5299395
Molecular FormulaC28H28N2O5
Molecular Weight472.54 g/mol
Exact Mass472.20
IUPAC Nameethyl 3-[(2,5-dioxo-1-phenyl-7,8-dihydro-6H-quinoline-3-carbonyl)amino]-3-(4-methylphenyl)propanoate
SMILESCCOC(=O)CC(NC(=O)c1cc2c(n(-c3ccccc3)c1=O)CCCC2=O)c1ccc(C)cc1
InChIInChI=1S/C28H28N2O5/c1-3-35-26(32)17-23(19-14-12-18(2)13-15-19)29-27(33)22-16-21-24(10-7-11-25(21)31)30(28(22)34)20-8-5-4-6-9-20/h4-6,8-9,12-16,23H,3,7,10-11,17H2,1-2H3,(H,29,33)
InChIKeyOWPZECBUVYWCKQ-UHFFFAOYSA-N
XLogP4.09
TPSA94.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.54
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 3-[(2,5-dioxo-1-phenyl-7,8-dihydro-6H-quinoline-3-carbonyl)amino]-3-(4-methylphenyl)propanoate with MolForge

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Related Compounds

ethyl (3S)-3-[(2,5-dichlorobenzoyl)amino]-3-(4-methylphenyl)propanoate
CID 7310541
1-(4-methylphenyl)-3-(morpholine-4-carbonyl)-7,8-dihydro-6H-quinoline-2,5-dione
CID 1090180
ethyl (3S)-3-(4-methylphenyl)-3-[(1-nitro-9,10-dioxoanthracene-2-carbonyl)amino]propanoate
CID 42583993
ethyl (3S)-3-benzamido-3-(4-ethoxyphenyl)propanoate
CID 7310443
ethyl (3S)-3-[(4-ethoxybenzoyl)amino]-3-(4-methylphenyl)propanoate
CID 7045180
[2-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-oxoethyl] 3-acetamido-3-(4-methylphenyl)propanoate
CID 55379069
ethyl 3-[(3-fluorobenzoyl)amino]-3-(4-methylphenyl)propanoate
CID 3534137
N-(1-hydroxy-2-methylpropan-2-yl)-1-(4-methoxyphenyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxamide
CID 23742174
ethyl 3-(4-methylphenyl)-3-(3-phenylpropanoylamino)propanoate
CID 5010923
ethyl 1-(4-methylphenyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-4-carboxylate
CID 102367438
ethyl (3R)-3-[[2-(2-methoxyethyl)-3-oxo-1H-isoindole-4-carbonyl]amino]-3-(4-methylphenyl)propanoate
CID 92661379
ethyl 3-(4-methoxyphenyl)-3-[(2-methylbenzoyl)amino]propanoate
CID 4042935

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(2,5-dioxo-1-phenyl-7,8-dihydro-6H-quinoline-3-carbonyl)amino]-3-(4-methylphenyl)propanoate?
The IUPAC name of ethyl 3-[(2,5-dioxo-1-phenyl-7,8-dihydro-6H-quinoline-3-carbonyl)amino]-3-(4-methylphenyl)propanoate (CID 5299395) is ethyl 3-[(2,5-dioxo-1-phenyl-7,8-dihydro-6H-quinoline-3-carbonyl)amino]-3-(4-methylphenyl)propanoate.
What is the SMILES notation for ethyl 3-[(2,5-dioxo-1-phenyl-7,8-dihydro-6H-quinoline-3-carbonyl)amino]-3-(4-methylphenyl)propanoate?
The canonical SMILES for ethyl 3-[(2,5-dioxo-1-phenyl-7,8-dihydro-6H-quinoline-3-carbonyl)amino]-3-(4-methylphenyl)propanoate is CCOC(=O)CC(NC(=O)c1cc2c(n(-c3ccccc3)c1=O)CCCC2=O)c1ccc(C)cc1.
What is the InChIKey of ethyl 3-[(2,5-dioxo-1-phenyl-7,8-dihydro-6H-quinoline-3-carbonyl)amino]-3-(4-methylphenyl)propanoate?
The InChIKey is OWPZECBUVYWCKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N2O5/c1-3-35-26(32)17-23(19-14-12-18(2)13-15-19)29-27(33)22-16-21-24(10-7-11-25(21)31)30(28(22)34)20-8-5-4-6-9-20/h4-6,8-9,12-16,23H,3,7,10-11,17H2,1-2H3,(H,29,33).
What are the key properties of ethyl 3-[(2,5-dioxo-1-phenyl-7,8-dihydro-6H-quinoline-3-carbonyl)amino]-3-(4-methylphenyl)propanoate?
ethyl 3-[(2,5-dioxo-1-phenyl-7,8-dihydro-6H-quinoline-3-carbonyl)amino]-3-(4-methylphenyl)propanoate has a molecular weight of 472.54 g/mol, XLogP of 4.09, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(2,5-dioxo-1-phenyl-7,8-dihydro-6H-quinoline-3-carbonyl)amino]-3-(4-methylphenyl)propanoate is sourced from PubChem (CID 5299395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).