6-chloro-8-methoxy-N-methyl-2-oxochromene-3-carboxamide

C12H10ClNO4 — CID 934859

IUPAC6-chloro-8-methoxy-N-methyl-2-oxochromene-3-carboxamide
SMILESCNC(=O)c1cc2cc(Cl)cc(OC)c2oc1=O
InChIInChI=1S/C12H10ClNO4/c1-14-11(15)8-4-6-3-7(13)5-9(17-2)10(6)18-12(8)16/h3-5H,1-2H3,(H,14,15)
InChIKeyRDMLJBHZMUZXEL-UHFFFAOYSA-N
MW267.67 g/mol
LogP1.81
Rot. Bonds2

About 6-chloro-8-methoxy-N-methyl-2-oxochromene-3-carboxamide

6-chloro-8-methoxy-N-methyl-2-oxochromene-3-carboxamide (PubChem CID 934859) has the molecular formula C12H10ClNO4 and a molecular weight of 267.67 g/mol. Its IUPAC name is 6-chloro-8-methoxy-N-methyl-2-oxochromene-3-carboxamide.

Molecular Properties

Compound Name6-chloro-8-methoxy-N-methyl-2-oxochromene-3-carboxamide
PubChem CID934859
Molecular FormulaC12H10ClNO4
Molecular Weight267.67 g/mol
Exact Mass267.03
IUPAC Name6-chloro-8-methoxy-N-methyl-2-oxochromene-3-carboxamide
SMILESCNC(=O)c1cc2cc(Cl)cc(OC)c2oc1=O
InChIInChI=1S/C12H10ClNO4/c1-14-11(15)8-4-6-3-7(13)5-9(17-2)10(6)18-12(8)16/h3-5H,1-2H3,(H,14,15)
InChIKeyRDMLJBHZMUZXEL-UHFFFAOYSA-N
XLogP1.81
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.67
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-chloro-8-methoxy-N-methyl-2-oxochromene-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 6-chloro-8-methoxy-N-methyl-2-oxochromene-3-carboxamide?
The IUPAC name of 6-chloro-8-methoxy-N-methyl-2-oxochromene-3-carboxamide (CID 934859) is 6-chloro-8-methoxy-N-methyl-2-oxochromene-3-carboxamide.
What is the SMILES notation for 6-chloro-8-methoxy-N-methyl-2-oxochromene-3-carboxamide?
The canonical SMILES for 6-chloro-8-methoxy-N-methyl-2-oxochromene-3-carboxamide is CNC(=O)c1cc2cc(Cl)cc(OC)c2oc1=O.
What is the InChIKey of 6-chloro-8-methoxy-N-methyl-2-oxochromene-3-carboxamide?
The InChIKey is RDMLJBHZMUZXEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNO4/c1-14-11(15)8-4-6-3-7(13)5-9(17-2)10(6)18-12(8)16/h3-5H,1-2H3,(H,14,15).
What are the key properties of 6-chloro-8-methoxy-N-methyl-2-oxochromene-3-carboxamide?
6-chloro-8-methoxy-N-methyl-2-oxochromene-3-carboxamide has a molecular weight of 267.67 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-8-methoxy-N-methyl-2-oxochromene-3-carboxamide is sourced from PubChem (CID 934859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).