ethyl 4-[[2-(3-methoxyphenyl)-6,8-dimethylquinoline-4-carbonyl]amino]benzoate

C28H26N2O4 — CID 19647745

IUPACethyl 4-[[2-(3-methoxyphenyl)-6,8-dimethylquinoline-4-carbonyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)c2cc(-c3cccc(OC)c3)nc3c(C)cc(C)cc23)cc1
InChIInChI=1S/C28H26N2O4/c1-5-34-28(32)19-9-11-21(12-10-19)29-27(31)24-16-25(20-7-6-8-22(15-20)33-4)30-26-18(3)13-17(2)14-23(24)26/h6-16H,5H2,1-4H3,(H,29,31)
InChIKeyBHUNYLSDULMZCY-UHFFFAOYSA-N
MW454.53 g/mol
LogP5.96
Rot. Bonds6

About ethyl 4-[[2-(3-methoxyphenyl)-6,8-dimethylquinoline-4-carbonyl]amino]benzoate

ethyl 4-[[2-(3-methoxyphenyl)-6,8-dimethylquinoline-4-carbonyl]amino]benzoate (PubChem CID 19647745) has the molecular formula C28H26N2O4 and a molecular weight of 454.53 g/mol. Its IUPAC name is ethyl 4-[[2-(3-methoxyphenyl)-6,8-dimethylquinoline-4-carbonyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[[2-(3-methoxyphenyl)-6,8-dimethylquinoline-4-carbonyl]amino]benzoate
PubChem CID19647745
Molecular FormulaC28H26N2O4
Molecular Weight454.53 g/mol
Exact Mass454.19
IUPAC Nameethyl 4-[[2-(3-methoxyphenyl)-6,8-dimethylquinoline-4-carbonyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)c2cc(-c3cccc(OC)c3)nc3c(C)cc(C)cc23)cc1
InChIInChI=1S/C28H26N2O4/c1-5-34-28(32)19-9-11-21(12-10-19)29-27(31)24-16-25(20-7-6-8-22(15-20)33-4)30-26-18(3)13-17(2)14-23(24)26/h6-16H,5H2,1-4H3,(H,29,31)
InChIKeyBHUNYLSDULMZCY-UHFFFAOYSA-N
XLogP5.96
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.53
LogP ≤ 55.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 4-[[2-(3-methoxyphenyl)-6,8-dimethylquinoline-4-carbonyl]amino]benzoate with MolForge

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Related Compounds

N-(4-bromo-3-methylphenyl)-2-(3-methoxyphenyl)-6,8-dimethylquinoline-4-carboxamide
CID 19647775
butyl 4-[[6,8-dimethyl-2-(4-methylphenyl)quinoline-4-carbonyl]amino]benzoate
CID 17257826
(4-methoxyphenyl) 2-(3-methoxyphenyl)-6,8-dimethylquinoline-4-carboxylate
CID 17261073
(3,5-dimethylphenyl) 2-(3-methoxyphenyl)-6,8-dimethylquinoline-4-carboxylate
CID 19648301
N-(5-chloro-2-methoxyphenyl)-2-(3-methoxyphenyl)-6,8-dimethylquinoline-4-carboxamide
CID 19647766
methyl 4-[(6,8-dimethyl-2-pyridin-2-ylquinoline-4-carbonyl)amino]benzoate
CID 177319819
2-(3-methoxyphenyl)-6,8-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]quinoline-4-carboxamide
CID 1313899
2-(3-methoxyphenyl)-6,8-dimethyl-N-(1-phenylethyl)quinoline-4-carboxamide
CID 19647752
ethyl 4-[[5-(3-methoxyphenyl)-1,3-oxazole-4-carbonyl]amino]benzoate
CID 20963655
ethyl 4-[[2-(3,4-dimethoxyphenyl)quinoline-4-carbonyl]amino]benzoate
CID 4580773
N-(3-chloro-4-methylphenyl)-2-(4-methoxyphenyl)-6,8-dimethylquinoline-4-carboxamide
CID 19647615
N-(4-methoxyphenyl)-6,8-dimethyl-2-thiophen-2-ylquinoline-4-carboxamide
CID 19647725

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-(3-methoxyphenyl)-6,8-dimethylquinoline-4-carbonyl]amino]benzoate?
The IUPAC name of ethyl 4-[[2-(3-methoxyphenyl)-6,8-dimethylquinoline-4-carbonyl]amino]benzoate (CID 19647745) is ethyl 4-[[2-(3-methoxyphenyl)-6,8-dimethylquinoline-4-carbonyl]amino]benzoate.
What is the SMILES notation for ethyl 4-[[2-(3-methoxyphenyl)-6,8-dimethylquinoline-4-carbonyl]amino]benzoate?
The canonical SMILES for ethyl 4-[[2-(3-methoxyphenyl)-6,8-dimethylquinoline-4-carbonyl]amino]benzoate is CCOC(=O)c1ccc(NC(=O)c2cc(-c3cccc(OC)c3)nc3c(C)cc(C)cc23)cc1.
What is the InChIKey of ethyl 4-[[2-(3-methoxyphenyl)-6,8-dimethylquinoline-4-carbonyl]amino]benzoate?
The InChIKey is BHUNYLSDULMZCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N2O4/c1-5-34-28(32)19-9-11-21(12-10-19)29-27(31)24-16-25(20-7-6-8-22(15-20)33-4)30-26-18(3)13-17(2)14-23(24)26/h6-16H,5H2,1-4H3,(H,29,31).
What are the key properties of ethyl 4-[[2-(3-methoxyphenyl)-6,8-dimethylquinoline-4-carbonyl]amino]benzoate?
ethyl 4-[[2-(3-methoxyphenyl)-6,8-dimethylquinoline-4-carbonyl]amino]benzoate has a molecular weight of 454.53 g/mol, XLogP of 5.96, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-(3-methoxyphenyl)-6,8-dimethylquinoline-4-carbonyl]amino]benzoate is sourced from PubChem (CID 19647745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).