4-[(2-methoxyquinoline-4-carbonyl)amino]benzoate

C18H13N2O4- — CID 6954390

IUPAC4-[(2-methoxyquinoline-4-carbonyl)amino]benzoate
SMILESCOc1cc(C(=O)Nc2ccc(C(=O)[O-])cc2)c2ccccc2n1
InChIInChI=1S/C18H14N2O4/c1-24-16-10-14(13-4-2-3-5-15(13)20-16)17(21)19-12-8-6-11(7-9-12)18(22)23/h2-10H,1H3,(H,19,21)(H,22,23)/p-1
InChIKeyUPMXJSMZVZWUHV-UHFFFAOYSA-M
MW321.31 g/mol
LogP1.86
Rot. Bonds4

About 4-[(2-methoxyquinoline-4-carbonyl)amino]benzoate

4-[(2-methoxyquinoline-4-carbonyl)amino]benzoate (PubChem CID 6954390) has the molecular formula C18H13N2O4- and a molecular weight of 321.31 g/mol. Its IUPAC name is 4-[(2-methoxyquinoline-4-carbonyl)amino]benzoate.

Molecular Properties

Compound Name4-[(2-methoxyquinoline-4-carbonyl)amino]benzoate
PubChem CID6954390
Molecular FormulaC18H13N2O4-
Molecular Weight321.31 g/mol
Exact Mass321.09
IUPAC Name4-[(2-methoxyquinoline-4-carbonyl)amino]benzoate
SMILESCOc1cc(C(=O)Nc2ccc(C(=O)[O-])cc2)c2ccccc2n1
InChIInChI=1S/C18H14N2O4/c1-24-16-10-14(13-4-2-3-5-15(13)20-16)17(21)19-12-8-6-11(7-9-12)18(22)23/h2-10H,1H3,(H,19,21)(H,22,23)/p-1
InChIKeyUPMXJSMZVZWUHV-UHFFFAOYSA-M
XLogP1.86
TPSA91.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.31
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methoxyphenyl)-2-phenylquinoline-4-carboxamide
CID 1035332
methyl 4-[(2-pyridin-2-ylquinoline-4-carbonyl)amino]benzoate
CID 2220860
2-[2-(dimethylamino)ethoxy]-N-phenylquinoline-4-carboxamide
CID 152623988
2-(4-bromophenoxy)-N-phenylquinoline-4-carboxamide
CID 1126008
methyl 4-[[2-(2,4-dimethoxyphenyl)quinoline-4-carbonyl]amino]benzoate
CID 3464523
N-[4-(methylcarbamoyl)phenyl]-2-propan-2-ylquinoline-4-carboxamide
CID 27675446
2-[(4-carboxylatophenyl)carbamoyl]benzoate
CID 6936041
2-chloro-N-(3,5-dimethoxyphenyl)quinoline-4-carboxamide
CID 9011295
methyl 2-[[4-[(2-propan-2-ylquinoline-4-carbonyl)amino]benzoyl]amino]acetate
CID 55396891
N-(4-ethyl-1,3-dimethylpyrazol-5-yl)-2-methoxyquinoline-4-carboxamide
CID 134709541
2-(3,4-dimethoxyphenyl)-N-(4-methoxyphenyl)quinoline-4-carboxamide
CID 4557332
ethyl 4-[[2-(3,4-dimethoxyphenyl)quinoline-4-carbonyl]amino]benzoate
CID 4580773

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methoxyquinoline-4-carbonyl)amino]benzoate?
The IUPAC name of 4-[(2-methoxyquinoline-4-carbonyl)amino]benzoate (CID 6954390) is 4-[(2-methoxyquinoline-4-carbonyl)amino]benzoate.
What is the SMILES notation for 4-[(2-methoxyquinoline-4-carbonyl)amino]benzoate?
The canonical SMILES for 4-[(2-methoxyquinoline-4-carbonyl)amino]benzoate is COc1cc(C(=O)Nc2ccc(C(=O)[O-])cc2)c2ccccc2n1.
What is the InChIKey of 4-[(2-methoxyquinoline-4-carbonyl)amino]benzoate?
The InChIKey is UPMXJSMZVZWUHV-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H14N2O4/c1-24-16-10-14(13-4-2-3-5-15(13)20-16)17(21)19-12-8-6-11(7-9-12)18(22)23/h2-10H,1H3,(H,19,21)(H,22,23)/p-1.
What are the key properties of 4-[(2-methoxyquinoline-4-carbonyl)amino]benzoate?
4-[(2-methoxyquinoline-4-carbonyl)amino]benzoate has a molecular weight of 321.31 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methoxyquinoline-4-carbonyl)amino]benzoate is sourced from PubChem (CID 6954390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).