5-chloro-6,7-dihydroxy-N-methyl-4-oxo-1H-quinoline-3-carboxamide

C11H9ClN2O4 — CID 118461158

IUPAC5-chloro-6,7-dihydroxy-N-methyl-4-oxo-1H-quinoline-3-carboxamide
SMILESCNC(=O)c1c[nH]c2cc(O)c(O)c(Cl)c2c1=O
InChIInChI=1S/C11H9ClN2O4/c1-13-11(18)4-3-14-5-2-6(15)10(17)8(12)7(5)9(4)16/h2-3,15,17H,1H3,(H,13,18)(H,14,16)
InChIKeyPWGHDJAGWHAJLA-UHFFFAOYSA-N
MW268.66 g/mol
LogP0.95
Rot. Bonds1

About 5-chloro-6,7-dihydroxy-N-methyl-4-oxo-1H-quinoline-3-carboxamide

5-chloro-6,7-dihydroxy-N-methyl-4-oxo-1H-quinoline-3-carboxamide (PubChem CID 118461158) has the molecular formula C11H9ClN2O4 and a molecular weight of 268.66 g/mol. Its IUPAC name is 5-chloro-6,7-dihydroxy-N-methyl-4-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name5-chloro-6,7-dihydroxy-N-methyl-4-oxo-1H-quinoline-3-carboxamide
PubChem CID118461158
Molecular FormulaC11H9ClN2O4
Molecular Weight268.66 g/mol
Exact Mass268.03
IUPAC Name5-chloro-6,7-dihydroxy-N-methyl-4-oxo-1H-quinoline-3-carboxamide
SMILESCNC(=O)c1c[nH]c2cc(O)c(O)c(Cl)c2c1=O
InChIInChI=1S/C11H9ClN2O4/c1-13-11(18)4-3-14-5-2-6(15)10(17)8(12)7(5)9(4)16/h2-3,15,17H,1H3,(H,13,18)(H,14,16)
InChIKeyPWGHDJAGWHAJLA-UHFFFAOYSA-N
XLogP0.95
TPSA102.42 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.66
LogP ≤ 50.95
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

5-chloro-6,7-dihydroxy-4-oxo-N-propan-2-yl-1H-quinoline-3-carboxamide
CID 131977166
3-amino-5-chloro-6,7-dihydroxy-1H-quinolin-4-one
CID 144617842
N-tert-butyl-8-chloro-6,7-dihydroxy-4-oxo-1H-quinoline-3-carboxamide
CID 118460150
N,4,6-trimethyl-1H-indole-3-carboxamide
CID 118475596
N,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide
CID 90091418
2-(6-fluoro-4-hydroxy-1H-indol-3-yl)-N-methyl-2-oxoacetamide
CID 176890965
N,3-dimethyl-4-oxo-7H-[1,2]thiazolo[5,4-b]pyridine-5-carboxamide
CID 135974174
methyl 5,7-difluoro-4-oxo-1H-quinoline-3-carboxylate
CID 102614566
ethyl 5-chloro-6-fluoro-4-oxo-1H-quinoline-3-carboxylate
CID 14519549
7-chloro-N-[[4-(methylaminomethyl)phenyl]methyl]-4-oxo-1H-quinoline-3-carboxamide;hydrochloride
CID 18473034
5-bromo-N-methyl-1H-indole-3-carboxamide
CID 142746507
5,7-difluoro-N-(4-methyl-2-pyridinyl)-4-oxo-1H-quinoline-3-carboxamide
CID 39850308

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6,7-dihydroxy-N-methyl-4-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of 5-chloro-6,7-dihydroxy-N-methyl-4-oxo-1H-quinoline-3-carboxamide (CID 118461158) is 5-chloro-6,7-dihydroxy-N-methyl-4-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for 5-chloro-6,7-dihydroxy-N-methyl-4-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for 5-chloro-6,7-dihydroxy-N-methyl-4-oxo-1H-quinoline-3-carboxamide is CNC(=O)c1c[nH]c2cc(O)c(O)c(Cl)c2c1=O.
What is the InChIKey of 5-chloro-6,7-dihydroxy-N-methyl-4-oxo-1H-quinoline-3-carboxamide?
The InChIKey is PWGHDJAGWHAJLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O4/c1-13-11(18)4-3-14-5-2-6(15)10(17)8(12)7(5)9(4)16/h2-3,15,17H,1H3,(H,13,18)(H,14,16).
What are the key properties of 5-chloro-6,7-dihydroxy-N-methyl-4-oxo-1H-quinoline-3-carboxamide?
5-chloro-6,7-dihydroxy-N-methyl-4-oxo-1H-quinoline-3-carboxamide has a molecular weight of 268.66 g/mol, XLogP of 0.95, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6,7-dihydroxy-N-methyl-4-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 118461158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).