3-[N-(4-carboxy-3-hydroxyphenyl)-C-methylcarbonimidoyl]-2-oxo-1-phenylquinolin-4-olate

C24H17N2O5- — CID 135573975

IUPAC3-[N-(4-carboxy-3-hydroxyphenyl)-C-methylcarbonimidoyl]-2-oxo-1-phenylquinolin-4-olate
SMILESC/C(=N\c1ccc(C(=O)O)c(O)c1)c1c([O-])c2ccccc2n(-c2ccccc2)c1=O
InChIInChI=1S/C24H18N2O5/c1-14(25-15-11-12-18(24(30)31)20(27)13-15)21-22(28)17-9-5-6-10-19(17)26(23(21)29)16-7-3-2-4-8-16/h2-13,27-28H,1H3,(H,30,31)/p-1/b25-14+
InChIKeyLYYOMRJBFVWKEQ-AFUMVMLFSA-M
MW413.41 g/mol
LogP3.61
Rot. Bonds4

About 3-[N-(4-carboxy-3-hydroxyphenyl)-C-methylcarbonimidoyl]-2-oxo-1-phenylquinolin-4-olate

3-[N-(4-carboxy-3-hydroxyphenyl)-C-methylcarbonimidoyl]-2-oxo-1-phenylquinolin-4-olate (PubChem CID 135573975) has the molecular formula C24H17N2O5- and a molecular weight of 413.41 g/mol. Its IUPAC name is 3-[N-(4-carboxy-3-hydroxyphenyl)-C-methylcarbonimidoyl]-2-oxo-1-phenylquinolin-4-olate.

Molecular Properties

Compound Name3-[N-(4-carboxy-3-hydroxyphenyl)-C-methylcarbonimidoyl]-2-oxo-1-phenylquinolin-4-olate
PubChem CID135573975
Molecular FormulaC24H17N2O5-
Molecular Weight413.41 g/mol
Exact Mass413.11
IUPAC Name3-[N-(4-carboxy-3-hydroxyphenyl)-C-methylcarbonimidoyl]-2-oxo-1-phenylquinolin-4-olate
SMILESC/C(=N\c1ccc(C(=O)O)c(O)c1)c1c([O-])c2ccccc2n(-c2ccccc2)c1=O
InChIInChI=1S/C24H18N2O5/c1-14(25-15-11-12-18(24(30)31)20(27)13-15)21-22(28)17-9-5-6-10-19(17)26(23(21)29)16-7-3-2-4-8-16/h2-13,27-28H,1H3,(H,30,31)/p-1/b25-14+
InChIKeyLYYOMRJBFVWKEQ-AFUMVMLFSA-M
XLogP3.61
TPSA114.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.41
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[N-(4-carboxy-3-hydroxyphenyl)-C-methylcarbonimidoyl]-2-oxo-1-phenylquinolin-4-olate?
The IUPAC name of 3-[N-(4-carboxy-3-hydroxyphenyl)-C-methylcarbonimidoyl]-2-oxo-1-phenylquinolin-4-olate (CID 135573975) is 3-[N-(4-carboxy-3-hydroxyphenyl)-C-methylcarbonimidoyl]-2-oxo-1-phenylquinolin-4-olate.
What is the SMILES notation for 3-[N-(4-carboxy-3-hydroxyphenyl)-C-methylcarbonimidoyl]-2-oxo-1-phenylquinolin-4-olate?
The canonical SMILES for 3-[N-(4-carboxy-3-hydroxyphenyl)-C-methylcarbonimidoyl]-2-oxo-1-phenylquinolin-4-olate is C/C(=N\c1ccc(C(=O)O)c(O)c1)c1c([O-])c2ccccc2n(-c2ccccc2)c1=O.
What is the InChIKey of 3-[N-(4-carboxy-3-hydroxyphenyl)-C-methylcarbonimidoyl]-2-oxo-1-phenylquinolin-4-olate?
The InChIKey is LYYOMRJBFVWKEQ-AFUMVMLFSA-M. The full InChI is InChI=1S/C24H18N2O5/c1-14(25-15-11-12-18(24(30)31)20(27)13-15)21-22(28)17-9-5-6-10-19(17)26(23(21)29)16-7-3-2-4-8-16/h2-13,27-28H,1H3,(H,30,31)/p-1/b25-14+.
What are the key properties of 3-[N-(4-carboxy-3-hydroxyphenyl)-C-methylcarbonimidoyl]-2-oxo-1-phenylquinolin-4-olate?
3-[N-(4-carboxy-3-hydroxyphenyl)-C-methylcarbonimidoyl]-2-oxo-1-phenylquinolin-4-olate has a molecular weight of 413.41 g/mol, XLogP of 3.61, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[N-(4-carboxy-3-hydroxyphenyl)-C-methylcarbonimidoyl]-2-oxo-1-phenylquinolin-4-olate is sourced from PubChem (CID 135573975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).