2-anilino-3-(4-methylphenyl)furo[3,2-c]chromen-4-one

C24H17NO3 — CID 18887554

IUPAC2-anilino-3-(4-methylphenyl)furo[3,2-c]chromen-4-one
SMILESCc1ccc(-c2c(Nc3ccccc3)oc3c2c(=O)oc2ccccc23)cc1
InChIInChI=1S/C24H17NO3/c1-15-11-13-16(14-12-15)20-21-22(18-9-5-6-10-19(18)27-24(21)26)28-23(20)25-17-7-3-2-4-8-17/h2-14,25H,1H3
InChIKeyDEGUXMNUAVKLCP-UHFFFAOYSA-N
MW367.40 g/mol
LogP6.26
Rot. Bonds3

About 2-anilino-3-(4-methylphenyl)furo[3,2-c]chromen-4-one

2-anilino-3-(4-methylphenyl)furo[3,2-c]chromen-4-one (PubChem CID 18887554) has the molecular formula C24H17NO3 and a molecular weight of 367.40 g/mol. Its IUPAC name is 2-anilino-3-(4-methylphenyl)furo[3,2-c]chromen-4-one.

Molecular Properties

Compound Name2-anilino-3-(4-methylphenyl)furo[3,2-c]chromen-4-one
PubChem CID18887554
Molecular FormulaC24H17NO3
Molecular Weight367.40 g/mol
Exact Mass367.12
IUPAC Name2-anilino-3-(4-methylphenyl)furo[3,2-c]chromen-4-one
SMILESCc1ccc(-c2c(Nc3ccccc3)oc3c2c(=O)oc2ccccc23)cc1
InChIInChI=1S/C24H17NO3/c1-15-11-13-16(14-12-15)20-21-22(18-9-5-6-10-19(18)27-24(21)26)28-23(20)25-17-7-3-2-4-8-17/h2-14,25H,1H3
InChIKeyDEGUXMNUAVKLCP-UHFFFAOYSA-N
XLogP6.26
TPSA55.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.40
LogP ≤ 56.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-anilino-3-(4-methylphenyl)furo[3,2-c]chromen-4-one?
The IUPAC name of 2-anilino-3-(4-methylphenyl)furo[3,2-c]chromen-4-one (CID 18887554) is 2-anilino-3-(4-methylphenyl)furo[3,2-c]chromen-4-one.
What is the SMILES notation for 2-anilino-3-(4-methylphenyl)furo[3,2-c]chromen-4-one?
The canonical SMILES for 2-anilino-3-(4-methylphenyl)furo[3,2-c]chromen-4-one is Cc1ccc(-c2c(Nc3ccccc3)oc3c2c(=O)oc2ccccc23)cc1.
What is the InChIKey of 2-anilino-3-(4-methylphenyl)furo[3,2-c]chromen-4-one?
The InChIKey is DEGUXMNUAVKLCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17NO3/c1-15-11-13-16(14-12-15)20-21-22(18-9-5-6-10-19(18)27-24(21)26)28-23(20)25-17-7-3-2-4-8-17/h2-14,25H,1H3.
What are the key properties of 2-anilino-3-(4-methylphenyl)furo[3,2-c]chromen-4-one?
2-anilino-3-(4-methylphenyl)furo[3,2-c]chromen-4-one has a molecular weight of 367.40 g/mol, XLogP of 6.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-3-(4-methylphenyl)furo[3,2-c]chromen-4-one is sourced from PubChem (CID 18887554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).