methyl 2-[[2-(2-methoxyphenyl)quinoline-4-carbonyl]amino]benzoate

C25H20N2O4 — CID 1012430

IUPACmethyl 2-[[2-(2-methoxyphenyl)quinoline-4-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1cc(-c2ccccc2OC)nc2ccccc12
InChIInChI=1S/C25H20N2O4/c1-30-23-14-8-5-10-17(23)22-15-19(16-9-3-6-12-20(16)26-22)24(28)27-21-13-7-4-11-18(21)25(29)31-2/h3-15H,1-2H3,(H,27,28)
InChIKeyHIDGAOAULFRTBA-UHFFFAOYSA-N
MW412.45 g/mol
LogP4.95
Rot. Bonds5

About methyl 2-[[2-(2-methoxyphenyl)quinoline-4-carbonyl]amino]benzoate

methyl 2-[[2-(2-methoxyphenyl)quinoline-4-carbonyl]amino]benzoate (PubChem CID 1012430) has the molecular formula C25H20N2O4 and a molecular weight of 412.45 g/mol. Its IUPAC name is methyl 2-[[2-(2-methoxyphenyl)quinoline-4-carbonyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[2-(2-methoxyphenyl)quinoline-4-carbonyl]amino]benzoate
PubChem CID1012430
Molecular FormulaC25H20N2O4
Molecular Weight412.45 g/mol
Exact Mass412.14
IUPAC Namemethyl 2-[[2-(2-methoxyphenyl)quinoline-4-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1cc(-c2ccccc2OC)nc2ccccc12
InChIInChI=1S/C25H20N2O4/c1-30-23-14-8-5-10-17(23)22-15-19(16-9-3-6-12-20(16)26-22)24(28)27-21-13-7-4-11-18(21)25(29)31-2/h3-15H,1-2H3,(H,27,28)
InChIKeyHIDGAOAULFRTBA-UHFFFAOYSA-N
XLogP4.95
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.45
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-carbamoylphenyl)-2-(2,5-dimethoxyphenyl)quinoline-4-carboxamide
CID 1225718
methyl 2-[[2-(5-methylfuran-2-yl)quinoline-4-carbonyl]amino]benzoate
CID 1221258
N-(4-chloro-2,5-dimethoxyphenyl)-2-(2-chlorophenyl)quinoline-4-carboxamide
CID 2164864
N-(2-ethyl-6-methylphenyl)-2-(2-methoxyphenyl)quinoline-4-carboxamide
CID 2965571
dimethyl 2-[[2-(3,4,5-trimethoxyphenyl)quinoline-4-carbonyl]amino]benzene-1,4-dicarboxylate
CID 2089041
N'-(2-methoxybenzoyl)-2-phenylquinoline-4-carbohydrazide
CID 6734416
N-(2,4-dimethoxyphenyl)-2-(2-propan-2-yloxyphenyl)quinoline-4-carboxamide
CID 997833
N-(2,4-dimethoxyphenyl)-2-naphthalen-1-ylquinoline-4-carboxamide
CID 2353292
2-(3,4-dimethoxyphenyl)-N-naphthalen-1-ylquinoline-4-carboxamide
CID 3253298
N-(2-ethoxyphenyl)-2-naphthalen-1-ylquinoline-4-carboxamide
CID 2353296
methyl 4,5-dimethoxy-2-[(2-thiophen-2-ylquinoline-4-carbonyl)amino]benzoate
CID 1261711
N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-2-phenylquinoline-4-carboxamide
CID 55646004

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(2-methoxyphenyl)quinoline-4-carbonyl]amino]benzoate?
The IUPAC name of methyl 2-[[2-(2-methoxyphenyl)quinoline-4-carbonyl]amino]benzoate (CID 1012430) is methyl 2-[[2-(2-methoxyphenyl)quinoline-4-carbonyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[2-(2-methoxyphenyl)quinoline-4-carbonyl]amino]benzoate?
The canonical SMILES for methyl 2-[[2-(2-methoxyphenyl)quinoline-4-carbonyl]amino]benzoate is COC(=O)c1ccccc1NC(=O)c1cc(-c2ccccc2OC)nc2ccccc12.
What is the InChIKey of methyl 2-[[2-(2-methoxyphenyl)quinoline-4-carbonyl]amino]benzoate?
The InChIKey is HIDGAOAULFRTBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N2O4/c1-30-23-14-8-5-10-17(23)22-15-19(16-9-3-6-12-20(16)26-22)24(28)27-21-13-7-4-11-18(21)25(29)31-2/h3-15H,1-2H3,(H,27,28).
What are the key properties of methyl 2-[[2-(2-methoxyphenyl)quinoline-4-carbonyl]amino]benzoate?
methyl 2-[[2-(2-methoxyphenyl)quinoline-4-carbonyl]amino]benzoate has a molecular weight of 412.45 g/mol, XLogP of 4.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(2-methoxyphenyl)quinoline-4-carbonyl]amino]benzoate is sourced from PubChem (CID 1012430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).