5-chloro-4-hydroxy-1-methyl-2-oxo-3,4-dihydroquinoline-3-carboxamide

C11H11ClN2O3 — CID 67456630

IUPAC5-chloro-4-hydroxy-1-methyl-2-oxo-3,4-dihydroquinoline-3-carboxamide
SMILESCN1C(=O)C(C(N)=O)C(O)c2c(Cl)cccc21
InChIInChI=1S/C11H11ClN2O3/c1-14-6-4-2-3-5(12)7(6)9(15)8(10(13)16)11(14)17/h2-4,8-9,15H,1H3,(H2,13,16)
InChIKeyVMTBHDSQRRJOAG-UHFFFAOYSA-N
MW254.67 g/mol
LogP0.45
Rot. Bonds1

About 5-chloro-4-hydroxy-1-methyl-2-oxo-3,4-dihydroquinoline-3-carboxamide

5-chloro-4-hydroxy-1-methyl-2-oxo-3,4-dihydroquinoline-3-carboxamide (PubChem CID 67456630) has the molecular formula C11H11ClN2O3 and a molecular weight of 254.67 g/mol. Its IUPAC name is 5-chloro-4-hydroxy-1-methyl-2-oxo-3,4-dihydroquinoline-3-carboxamide.

Molecular Properties

Compound Name5-chloro-4-hydroxy-1-methyl-2-oxo-3,4-dihydroquinoline-3-carboxamide
PubChem CID67456630
Molecular FormulaC11H11ClN2O3
Molecular Weight254.67 g/mol
Exact Mass254.05
IUPAC Name5-chloro-4-hydroxy-1-methyl-2-oxo-3,4-dihydroquinoline-3-carboxamide
SMILESCN1C(=O)C(C(N)=O)C(O)c2c(Cl)cccc21
InChIInChI=1S/C11H11ClN2O3/c1-14-6-4-2-3-5(12)7(6)9(15)8(10(13)16)11(14)17/h2-4,8-9,15H,1H3,(H2,13,16)
InChIKeyVMTBHDSQRRJOAG-UHFFFAOYSA-N
XLogP0.45
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.67
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 5-chloro-4-hydroxy-1-methyl-2-oxo-3,4-dihydroquinoline-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-hydroxy-1-methyl-2-oxo-3,4-dihydroquinoline-3-carboxamide?
The IUPAC name of 5-chloro-4-hydroxy-1-methyl-2-oxo-3,4-dihydroquinoline-3-carboxamide (CID 67456630) is 5-chloro-4-hydroxy-1-methyl-2-oxo-3,4-dihydroquinoline-3-carboxamide.
What is the SMILES notation for 5-chloro-4-hydroxy-1-methyl-2-oxo-3,4-dihydroquinoline-3-carboxamide?
The canonical SMILES for 5-chloro-4-hydroxy-1-methyl-2-oxo-3,4-dihydroquinoline-3-carboxamide is CN1C(=O)C(C(N)=O)C(O)c2c(Cl)cccc21.
What is the InChIKey of 5-chloro-4-hydroxy-1-methyl-2-oxo-3,4-dihydroquinoline-3-carboxamide?
The InChIKey is VMTBHDSQRRJOAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O3/c1-14-6-4-2-3-5(12)7(6)9(15)8(10(13)16)11(14)17/h2-4,8-9,15H,1H3,(H2,13,16).
What are the key properties of 5-chloro-4-hydroxy-1-methyl-2-oxo-3,4-dihydroquinoline-3-carboxamide?
5-chloro-4-hydroxy-1-methyl-2-oxo-3,4-dihydroquinoline-3-carboxamide has a molecular weight of 254.67 g/mol, XLogP of 0.45, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-hydroxy-1-methyl-2-oxo-3,4-dihydroquinoline-3-carboxamide is sourced from PubChem (CID 67456630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).