dimethyl 5-[(1-ethyl-4-oxoquinoline-3-carbonyl)amino]benzene-1,3-dicarboxylate

C22H20N2O6 — CID 30131954

IUPACdimethyl 5-[(1-ethyl-4-oxoquinoline-3-carbonyl)amino]benzene-1,3-dicarboxylate
SMILESCCn1cc(C(=O)Nc2cc(C(=O)OC)cc(C(=O)OC)c2)c(=O)c2ccccc21
InChIInChI=1S/C22H20N2O6/c1-4-24-12-17(19(25)16-7-5-6-8-18(16)24)20(26)23-15-10-13(21(27)29-2)9-14(11-15)22(28)30-3/h5-12H,4H2,1-3H3,(H,23,26)
InChIKeyMOYLAFMRUSEUDJ-UHFFFAOYSA-N
MW408.41 g/mol
LogP2.85
Rot. Bonds5

About dimethyl 5-[(1-ethyl-4-oxoquinoline-3-carbonyl)amino]benzene-1,3-dicarboxylate

dimethyl 5-[(1-ethyl-4-oxoquinoline-3-carbonyl)amino]benzene-1,3-dicarboxylate (PubChem CID 30131954) has the molecular formula C22H20N2O6 and a molecular weight of 408.41 g/mol. Its IUPAC name is dimethyl 5-[(1-ethyl-4-oxoquinoline-3-carbonyl)amino]benzene-1,3-dicarboxylate.

Molecular Properties

Compound Namedimethyl 5-[(1-ethyl-4-oxoquinoline-3-carbonyl)amino]benzene-1,3-dicarboxylate
PubChem CID30131954
Molecular FormulaC22H20N2O6
Molecular Weight408.41 g/mol
Exact Mass408.13
IUPAC Namedimethyl 5-[(1-ethyl-4-oxoquinoline-3-carbonyl)amino]benzene-1,3-dicarboxylate
SMILESCCn1cc(C(=O)Nc2cc(C(=O)OC)cc(C(=O)OC)c2)c(=O)c2ccccc21
InChIInChI=1S/C22H20N2O6/c1-4-24-12-17(19(25)16-7-5-6-8-18(16)24)20(26)23-15-10-13(21(27)29-2)9-14(11-15)22(28)30-3/h5-12H,4H2,1-3H3,(H,23,26)
InChIKeyMOYLAFMRUSEUDJ-UHFFFAOYSA-N
XLogP2.85
TPSA103.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.41
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze dimethyl 5-[(1-ethyl-4-oxoquinoline-3-carbonyl)amino]benzene-1,3-dicarboxylate 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

N-(3-acetylphenyl)-1-ethyl-6-methoxy-4-oxoquinoline-3-carboxamide
CID 42582572
N-(4-methoxyphenyl)-4-oxo-1-pentylquinoline-3-carboxamide
CID 11523434
ethyl 4-[(1-ethyl-6-fluoro-4-oxoquinoline-3-carbonyl)amino]benzoate
CID 39850939
ethyl 1-[(4-methoxycarbonylphenyl)methyl]-4-oxoquinoline-3-carboxylate
CID 122188100
1-ethyl-6-fluoro-N-(2-methoxyphenyl)-4-oxoquinoline-3-carboxamide
CID 39850828
1-ethyl-N-(2-methyl-3-nitrophenyl)-4-oxoquinoline-3-carboxamide
CID 30131946
1-ethyl-6-methoxy-4-oxo-N-(4-propan-2-ylphenyl)quinoline-3-carboxamide
CID 30132855
dimethyl 5-[(2-ethylsulfanylbenzoyl)amino]benzene-1,3-dicarboxylate
CID 2210400
dimethyl 5-[(1-ethyl-3-methylpyrazole-4-carbonyl)amino]benzene-1,3-dicarboxylate
CID 19474183
1-ethyl-7-methoxy-4-oxo-N-phenyl-1,8-naphthyridine-3-carboxamide
CID 162624409
dimethyl 5-[(3-oxobenzo[f]chromene-2-carbonyl)amino]benzene-1,3-dicarboxylate
CID 6616120
dimethyl 5-[(5-bromonaphthalene-1-carbonyl)amino]benzene-1,3-dicarboxylate
CID 1354324

Frequently Asked Questions

What is the IUPAC name of dimethyl 5-[(1-ethyl-4-oxoquinoline-3-carbonyl)amino]benzene-1,3-dicarboxylate?
The IUPAC name of dimethyl 5-[(1-ethyl-4-oxoquinoline-3-carbonyl)amino]benzene-1,3-dicarboxylate (CID 30131954) is dimethyl 5-[(1-ethyl-4-oxoquinoline-3-carbonyl)amino]benzene-1,3-dicarboxylate.
What is the SMILES notation for dimethyl 5-[(1-ethyl-4-oxoquinoline-3-carbonyl)amino]benzene-1,3-dicarboxylate?
The canonical SMILES for dimethyl 5-[(1-ethyl-4-oxoquinoline-3-carbonyl)amino]benzene-1,3-dicarboxylate is CCn1cc(C(=O)Nc2cc(C(=O)OC)cc(C(=O)OC)c2)c(=O)c2ccccc21.
What is the InChIKey of dimethyl 5-[(1-ethyl-4-oxoquinoline-3-carbonyl)amino]benzene-1,3-dicarboxylate?
The InChIKey is MOYLAFMRUSEUDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O6/c1-4-24-12-17(19(25)16-7-5-6-8-18(16)24)20(26)23-15-10-13(21(27)29-2)9-14(11-15)22(28)30-3/h5-12H,4H2,1-3H3,(H,23,26).
What are the key properties of dimethyl 5-[(1-ethyl-4-oxoquinoline-3-carbonyl)amino]benzene-1,3-dicarboxylate?
dimethyl 5-[(1-ethyl-4-oxoquinoline-3-carbonyl)amino]benzene-1,3-dicarboxylate has a molecular weight of 408.41 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 5-[(1-ethyl-4-oxoquinoline-3-carbonyl)amino]benzene-1,3-dicarboxylate is sourced from PubChem (CID 30131954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).