N-[(3,4-dihydroxyphenyl)methyl]-2-oxo-1H-quinoline-3-carboxamide

C17H14N2O4 — CID 142731918

IUPACN-[(3,4-dihydroxyphenyl)methyl]-2-oxo-1H-quinoline-3-carboxamide
SMILESO=C(NCc1ccc(O)c(O)c1)c1cc2ccccc2[nH]c1=O
InChIInChI=1S/C17H14N2O4/c20-14-6-5-10(7-15(14)21)9-18-16(22)12-8-11-3-1-2-4-13(11)19-17(12)23/h1-8,20-21H,9H2,(H,18,22)(H,19,23)
InChIKeyWLNXRTJUSXOEPA-UHFFFAOYSA-N
MW310.31 g/mol
LogP1.87
Rot. Bonds3

About N-[(3,4-dihydroxyphenyl)methyl]-2-oxo-1H-quinoline-3-carboxamide

N-[(3,4-dihydroxyphenyl)methyl]-2-oxo-1H-quinoline-3-carboxamide (PubChem CID 142731918) has the molecular formula C17H14N2O4 and a molecular weight of 310.31 g/mol. Its IUPAC name is N-[(3,4-dihydroxyphenyl)methyl]-2-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-[(3,4-dihydroxyphenyl)methyl]-2-oxo-1H-quinoline-3-carboxamide
PubChem CID142731918
Molecular FormulaC17H14N2O4
Molecular Weight310.31 g/mol
Exact Mass310.10
IUPAC NameN-[(3,4-dihydroxyphenyl)methyl]-2-oxo-1H-quinoline-3-carboxamide
SMILESO=C(NCc1ccc(O)c(O)c1)c1cc2ccccc2[nH]c1=O
InChIInChI=1S/C17H14N2O4/c20-14-6-5-10(7-15(14)21)9-18-16(22)12-8-11-3-1-2-4-13(11)19-17(12)23/h1-8,20-21H,9H2,(H,18,22)(H,19,23)
InChIKeyWLNXRTJUSXOEPA-UHFFFAOYSA-N
XLogP1.87
TPSA102.42 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 51.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N-[(4-chlorophenyl)methyl]-2-oxo-1H-quinoline-3-carboxamide
CID 123757934
N-[(4-bromophenyl)methyl]-2-oxo-1H-quinoline-3-carboxamide
CID 142731957
N-[(6-methoxy-3-pyridinyl)methyl]-2-oxo-1H-quinoline-3-carboxamide
CID 16613259
N-(2-bromoethyl)-2-oxo-1H-quinoline-3-carboxamide
CID 142731854
2-[(2-oxo-1H-quinoline-3-carbonyl)amino]acetic acid
CID 66951790
N-methyl-2-oxo-1H-quinoline-3-carboxamide
CID 16613028
2-oxo-N-(pyridin-2-ylmethyl)-1H-quinoline-3-carboxamide
CID 16589995
N-[[3-(butanoylamino)phenyl]methyl]-2-oxo-1H-quinoline-3-carboxamide
CID 55844693
N-[(4-butoxy-3-methoxyphenyl)methyl]-2-oxo-1H-quinoline-3-carboxamide
CID 55694019
N-[(3,4-dihydroxyphenyl)methyl]-2,3-dihydroxybenzamide
CID 141325357
N-[[2-(diethylaminomethyl)phenyl]methyl]-2-oxo-1H-quinoline-3-carboxamide
CID 55485654
N-[2-(3-fluorophenyl)ethyl]-2-oxo-1H-quinoline-3-carboxamide
CID 16613142

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dihydroxyphenyl)methyl]-2-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of N-[(3,4-dihydroxyphenyl)methyl]-2-oxo-1H-quinoline-3-carboxamide (CID 142731918) is N-[(3,4-dihydroxyphenyl)methyl]-2-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-[(3,4-dihydroxyphenyl)methyl]-2-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for N-[(3,4-dihydroxyphenyl)methyl]-2-oxo-1H-quinoline-3-carboxamide is O=C(NCc1ccc(O)c(O)c1)c1cc2ccccc2[nH]c1=O.
What is the InChIKey of N-[(3,4-dihydroxyphenyl)methyl]-2-oxo-1H-quinoline-3-carboxamide?
The InChIKey is WLNXRTJUSXOEPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O4/c20-14-6-5-10(7-15(14)21)9-18-16(22)12-8-11-3-1-2-4-13(11)19-17(12)23/h1-8,20-21H,9H2,(H,18,22)(H,19,23).
What are the key properties of N-[(3,4-dihydroxyphenyl)methyl]-2-oxo-1H-quinoline-3-carboxamide?
N-[(3,4-dihydroxyphenyl)methyl]-2-oxo-1H-quinoline-3-carboxamide has a molecular weight of 310.31 g/mol, XLogP of 1.87, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dihydroxyphenyl)methyl]-2-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 142731918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).