8-hydroxy-2-[(3-methoxyphenyl)carbamoyl]quinoline-5-carboxylic acid

C18H14N2O5 — CID 122196462

IUPAC8-hydroxy-2-[(3-methoxyphenyl)carbamoyl]quinoline-5-carboxylic acid
SMILESCOc1cccc(NC(=O)c2ccc3c(C(=O)O)ccc(O)c3n2)c1
InChIInChI=1S/C18H14N2O5/c1-25-11-4-2-3-10(9-11)19-17(22)14-7-5-12-13(18(23)24)6-8-15(21)16(12)20-14/h2-9,21H,1H3,(H,19,22)(H,23,24)
InChIKeyKODBQNJBLYLCNQ-UHFFFAOYSA-N
MW338.32 g/mol
LogP2.90
Rot. Bonds4

About 8-hydroxy-2-[(3-methoxyphenyl)carbamoyl]quinoline-5-carboxylic acid

8-hydroxy-2-[(3-methoxyphenyl)carbamoyl]quinoline-5-carboxylic acid (PubChem CID 122196462) has the molecular formula C18H14N2O5 and a molecular weight of 338.32 g/mol. Its IUPAC name is 8-hydroxy-2-[(3-methoxyphenyl)carbamoyl]quinoline-5-carboxylic acid.

Molecular Properties

Compound Name8-hydroxy-2-[(3-methoxyphenyl)carbamoyl]quinoline-5-carboxylic acid
PubChem CID122196462
Molecular FormulaC18H14N2O5
Molecular Weight338.32 g/mol
Exact Mass338.09
IUPAC Name8-hydroxy-2-[(3-methoxyphenyl)carbamoyl]quinoline-5-carboxylic acid
SMILESCOc1cccc(NC(=O)c2ccc3c(C(=O)O)ccc(O)c3n2)c1
InChIInChI=1S/C18H14N2O5/c1-25-11-4-2-3-10(9-11)19-17(22)14-7-5-12-13(18(23)24)6-8-15(21)16(12)20-14/h2-9,21H,1H3,(H,19,22)(H,23,24)
InChIKeyKODBQNJBLYLCNQ-UHFFFAOYSA-N
XLogP2.90
TPSA108.75 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.32
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-N-(3-methoxyphenyl)-2-N-phenylpyridine-2,6-dicarboxamide
CID 109099989
2-hydroxy-4-methoxy-N-(3-methoxyphenyl)benzamide
CID 27167303
8-hydroxy-N-(4-methoxyphenyl)quinoline-2-carboxamide
CID 122182100
N-(3-methoxyphenyl)-6-(methylamino)pyridazine-3-carboxamide
CID 55042566
N-(3-methoxyphenyl)-5-(methylamino)pyridine-2-carboxamide
CID 104640036
2-N,5-N-bis(3-methoxyphenyl)pyridine-2,5-dicarboxamide
CID 1368781
6-hydrazinyl-N-(3-methoxyphenyl)pyridazine-3-carboxamide
CID 55051032
6-N-(3,4-difluorophenyl)-2-N-(3-methoxyphenyl)pyridine-2,6-dicarboxamide
CID 109100953
N-(3-chlorophenyl)-2-hydroxy-4-methoxybenzamide
CID 5274047
N-(3-methoxyphenyl)isoquinoline-3-carboxamide
CID 110859992
6-N-(3-methoxyphenyl)-2-N-[(4-methoxyphenyl)methyl]pyridine-2,6-dicarboxamide
CID 109098040
2-(3-methoxyanilino)-N-phenylpyrimidine-4-carboxamide
CID 109313540

Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-2-[(3-methoxyphenyl)carbamoyl]quinoline-5-carboxylic acid?
The IUPAC name of 8-hydroxy-2-[(3-methoxyphenyl)carbamoyl]quinoline-5-carboxylic acid (CID 122196462) is 8-hydroxy-2-[(3-methoxyphenyl)carbamoyl]quinoline-5-carboxylic acid.
What is the SMILES notation for 8-hydroxy-2-[(3-methoxyphenyl)carbamoyl]quinoline-5-carboxylic acid?
The canonical SMILES for 8-hydroxy-2-[(3-methoxyphenyl)carbamoyl]quinoline-5-carboxylic acid is COc1cccc(NC(=O)c2ccc3c(C(=O)O)ccc(O)c3n2)c1.
What is the InChIKey of 8-hydroxy-2-[(3-methoxyphenyl)carbamoyl]quinoline-5-carboxylic acid?
The InChIKey is KODBQNJBLYLCNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O5/c1-25-11-4-2-3-10(9-11)19-17(22)14-7-5-12-13(18(23)24)6-8-15(21)16(12)20-14/h2-9,21H,1H3,(H,19,22)(H,23,24).
What are the key properties of 8-hydroxy-2-[(3-methoxyphenyl)carbamoyl]quinoline-5-carboxylic acid?
8-hydroxy-2-[(3-methoxyphenyl)carbamoyl]quinoline-5-carboxylic acid has a molecular weight of 338.32 g/mol, XLogP of 2.90, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-2-[(3-methoxyphenyl)carbamoyl]quinoline-5-carboxylic acid is sourced from PubChem (CID 122196462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).