3-(3-chlorophenyl)-2-(2-methylanilino)furo[3,2-c]chromen-4-one

C24H16ClNO3 — CID 18887595

IUPAC3-(3-chlorophenyl)-2-(2-methylanilino)furo[3,2-c]chromen-4-one
SMILESCc1ccccc1Nc1oc2c(c1-c1cccc(Cl)c1)c(=O)oc1ccccc12
InChIInChI=1S/C24H16ClNO3/c1-14-7-2-4-11-18(14)26-23-20(15-8-6-9-16(25)13-15)21-22(29-23)17-10-3-5-12-19(17)28-24(21)27/h2-13,26H,1H3
InChIKeyJHBWMYFBJBABAG-UHFFFAOYSA-N
MW401.85 g/mol
LogP6.91
Rot. Bonds3

About 3-(3-chlorophenyl)-2-(2-methylanilino)furo[3,2-c]chromen-4-one

3-(3-chlorophenyl)-2-(2-methylanilino)furo[3,2-c]chromen-4-one (PubChem CID 18887595) has the molecular formula C24H16ClNO3 and a molecular weight of 401.85 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-2-(2-methylanilino)furo[3,2-c]chromen-4-one.

Molecular Properties

Compound Name3-(3-chlorophenyl)-2-(2-methylanilino)furo[3,2-c]chromen-4-one
PubChem CID18887595
Molecular FormulaC24H16ClNO3
Molecular Weight401.85 g/mol
Exact Mass401.08
IUPAC Name3-(3-chlorophenyl)-2-(2-methylanilino)furo[3,2-c]chromen-4-one
SMILESCc1ccccc1Nc1oc2c(c1-c1cccc(Cl)c1)c(=O)oc1ccccc12
InChIInChI=1S/C24H16ClNO3/c1-14-7-2-4-11-18(14)26-23-20(15-8-6-9-16(25)13-15)21-22(29-23)17-10-3-5-12-19(17)28-24(21)27/h2-13,26H,1H3
InChIKeyJHBWMYFBJBABAG-UHFFFAOYSA-N
XLogP6.91
TPSA55.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.85
LogP ≤ 56.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(3-chlorophenyl)-2-(2-methylanilino)furo[3,2-c]chromen-4-one 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 3-(3-chlorophenyl)-2-(2-methylanilino)furo[3,2-c]chromen-4-one?
The IUPAC name of 3-(3-chlorophenyl)-2-(2-methylanilino)furo[3,2-c]chromen-4-one (CID 18887595) is 3-(3-chlorophenyl)-2-(2-methylanilino)furo[3,2-c]chromen-4-one.
What is the SMILES notation for 3-(3-chlorophenyl)-2-(2-methylanilino)furo[3,2-c]chromen-4-one?
The canonical SMILES for 3-(3-chlorophenyl)-2-(2-methylanilino)furo[3,2-c]chromen-4-one is Cc1ccccc1Nc1oc2c(c1-c1cccc(Cl)c1)c(=O)oc1ccccc12.
What is the InChIKey of 3-(3-chlorophenyl)-2-(2-methylanilino)furo[3,2-c]chromen-4-one?
The InChIKey is JHBWMYFBJBABAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16ClNO3/c1-14-7-2-4-11-18(14)26-23-20(15-8-6-9-16(25)13-15)21-22(29-23)17-10-3-5-12-19(17)28-24(21)27/h2-13,26H,1H3.
What are the key properties of 3-(3-chlorophenyl)-2-(2-methylanilino)furo[3,2-c]chromen-4-one?
3-(3-chlorophenyl)-2-(2-methylanilino)furo[3,2-c]chromen-4-one has a molecular weight of 401.85 g/mol, XLogP of 6.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-2-(2-methylanilino)furo[3,2-c]chromen-4-one is sourced from PubChem (CID 18887595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).