dimethyl 5-[[2-(4-ethoxyphenyl)quinoline-4-carbonyl]amino]benzene-1,3-dicarboxylate

C28H24N2O6 — CID 1291458

IUPACdimethyl 5-[[2-(4-ethoxyphenyl)quinoline-4-carbonyl]amino]benzene-1,3-dicarboxylate
SMILESCCOc1ccc(-c2cc(C(=O)Nc3cc(C(=O)OC)cc(C(=O)OC)c3)c3ccccc3n2)cc1
InChIInChI=1S/C28H24N2O6/c1-4-36-21-11-9-17(10-12-21)25-16-23(22-7-5-6-8-24(22)30-25)26(31)29-20-14-18(27(32)34-2)13-19(15-20)28(33)35-3/h5-16H,4H2,1-3H3,(H,29,31)
InChIKeyGPWPAXRNUIIAOR-UHFFFAOYSA-N
MW484.51 g/mol
LogP5.13
Rot. Bonds7

About dimethyl 5-[[2-(4-ethoxyphenyl)quinoline-4-carbonyl]amino]benzene-1,3-dicarboxylate

dimethyl 5-[[2-(4-ethoxyphenyl)quinoline-4-carbonyl]amino]benzene-1,3-dicarboxylate (PubChem CID 1291458) has the molecular formula C28H24N2O6 and a molecular weight of 484.51 g/mol. Its IUPAC name is dimethyl 5-[[2-(4-ethoxyphenyl)quinoline-4-carbonyl]amino]benzene-1,3-dicarboxylate.

Molecular Properties

Compound Namedimethyl 5-[[2-(4-ethoxyphenyl)quinoline-4-carbonyl]amino]benzene-1,3-dicarboxylate
PubChem CID1291458
Molecular FormulaC28H24N2O6
Molecular Weight484.51 g/mol
Exact Mass484.16
IUPAC Namedimethyl 5-[[2-(4-ethoxyphenyl)quinoline-4-carbonyl]amino]benzene-1,3-dicarboxylate
SMILESCCOc1ccc(-c2cc(C(=O)Nc3cc(C(=O)OC)cc(C(=O)OC)c3)c3ccccc3n2)cc1
InChIInChI=1S/C28H24N2O6/c1-4-36-21-11-9-17(10-12-21)25-16-23(22-7-5-6-8-24(22)30-25)26(31)29-20-14-18(27(32)34-2)13-19(15-20)28(33)35-3/h5-16H,4H2,1-3H3,(H,29,31)
InChIKeyGPWPAXRNUIIAOR-UHFFFAOYSA-N
XLogP5.13
TPSA103.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.51
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-chlorophenyl)-N-(4-ethoxyphenyl)quinoline-4-carboxamide
CID 3128623
dimethyl 5-[[2-(3-methylphenyl)quinoline-4-carbonyl]amino]benzene-1,3-dicarboxylate
CID 1224618
N-(2,6-diethylphenyl)-2-(4-ethoxyphenyl)quinoline-4-carboxamide
CID 3426683
N-(2,6-dichlorophenyl)-2-(4-ethoxyphenyl)quinoline-4-carboxamide
CID 4278019
2-(4-ethoxyphenyl)-N-(3-methyl-2-pyridinyl)quinoline-4-carboxamide
CID 1358364
2-(4-ethoxyphenyl)-N-[2-(4-methoxyphenoxy)ethyl]quinoline-4-carboxamide
CID 46098671
N-(4-ethoxyphenyl)-6-ethyl-2-phenylquinoline-4-carboxamide
CID 3898421
N-(3-chloro-2-pyridinyl)-2-(4-ethoxyphenyl)quinoline-4-carboxamide
CID 2165739
N-(4-methoxyphenyl)-2-phenylquinoline-4-carboxamide
CID 1035332
2-(4-methoxyphenyl)-N-[3-(propanoylamino)phenyl]quinoline-4-carboxamide
CID 46578599
2-(4-ethoxyphenyl)-N-(2-methoxy-5-nitrophenyl)quinoline-4-carboxamide
CID 1290094
2-(4-ethoxyphenyl)-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)quinoline-4-carboxamide
CID 4649173

Frequently Asked Questions

What is the IUPAC name of dimethyl 5-[[2-(4-ethoxyphenyl)quinoline-4-carbonyl]amino]benzene-1,3-dicarboxylate?
The IUPAC name of dimethyl 5-[[2-(4-ethoxyphenyl)quinoline-4-carbonyl]amino]benzene-1,3-dicarboxylate (CID 1291458) is dimethyl 5-[[2-(4-ethoxyphenyl)quinoline-4-carbonyl]amino]benzene-1,3-dicarboxylate.
What is the SMILES notation for dimethyl 5-[[2-(4-ethoxyphenyl)quinoline-4-carbonyl]amino]benzene-1,3-dicarboxylate?
The canonical SMILES for dimethyl 5-[[2-(4-ethoxyphenyl)quinoline-4-carbonyl]amino]benzene-1,3-dicarboxylate is CCOc1ccc(-c2cc(C(=O)Nc3cc(C(=O)OC)cc(C(=O)OC)c3)c3ccccc3n2)cc1.
What is the InChIKey of dimethyl 5-[[2-(4-ethoxyphenyl)quinoline-4-carbonyl]amino]benzene-1,3-dicarboxylate?
The InChIKey is GPWPAXRNUIIAOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N2O6/c1-4-36-21-11-9-17(10-12-21)25-16-23(22-7-5-6-8-24(22)30-25)26(31)29-20-14-18(27(32)34-2)13-19(15-20)28(33)35-3/h5-16H,4H2,1-3H3,(H,29,31).
What are the key properties of dimethyl 5-[[2-(4-ethoxyphenyl)quinoline-4-carbonyl]amino]benzene-1,3-dicarboxylate?
dimethyl 5-[[2-(4-ethoxyphenyl)quinoline-4-carbonyl]amino]benzene-1,3-dicarboxylate has a molecular weight of 484.51 g/mol, XLogP of 5.13, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 5-[[2-(4-ethoxyphenyl)quinoline-4-carbonyl]amino]benzene-1,3-dicarboxylate is sourced from PubChem (CID 1291458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).