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

C25H19NO4 — CID 18887609

IUPAC3-(4-methoxyphenyl)-2-(2-methylanilino)furo[3,2-c]chromen-4-one
SMILESCOc1ccc(-c2c(Nc3ccccc3C)oc3c2c(=O)oc2ccccc23)cc1
InChIInChI=1S/C25H19NO4/c1-15-7-3-5-9-19(15)26-24-21(16-11-13-17(28-2)14-12-16)22-23(30-24)18-8-4-6-10-20(18)29-25(22)27/h3-14,26H,1-2H3
InChIKeyCJWBFCHDCBXQGC-UHFFFAOYSA-N
MW397.43 g/mol
LogP6.27
Rot. Bonds4

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

3-(4-methoxyphenyl)-2-(2-methylanilino)furo[3,2-c]chromen-4-one (PubChem CID 18887609) has the molecular formula C25H19NO4 and a molecular weight of 397.43 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-2-(2-methylanilino)furo[3,2-c]chromen-4-one.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-2-(2-methylanilino)furo[3,2-c]chromen-4-one
PubChem CID18887609
Molecular FormulaC25H19NO4
Molecular Weight397.43 g/mol
Exact Mass397.13
IUPAC Name3-(4-methoxyphenyl)-2-(2-methylanilino)furo[3,2-c]chromen-4-one
SMILESCOc1ccc(-c2c(Nc3ccccc3C)oc3c2c(=O)oc2ccccc23)cc1
InChIInChI=1S/C25H19NO4/c1-15-7-3-5-9-19(15)26-24-21(16-11-13-17(28-2)14-12-16)22-23(30-24)18-8-4-6-10-20(18)29-25(22)27/h3-14,26H,1-2H3
InChIKeyCJWBFCHDCBXQGC-UHFFFAOYSA-N
XLogP6.27
TPSA64.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.43
LogP ≤ 56.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-2-(2-methylanilino)furo[3,2-c]chromen-4-one?
The IUPAC name of 3-(4-methoxyphenyl)-2-(2-methylanilino)furo[3,2-c]chromen-4-one (CID 18887609) is 3-(4-methoxyphenyl)-2-(2-methylanilino)furo[3,2-c]chromen-4-one.
What is the SMILES notation for 3-(4-methoxyphenyl)-2-(2-methylanilino)furo[3,2-c]chromen-4-one?
The canonical SMILES for 3-(4-methoxyphenyl)-2-(2-methylanilino)furo[3,2-c]chromen-4-one is COc1ccc(-c2c(Nc3ccccc3C)oc3c2c(=O)oc2ccccc23)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-2-(2-methylanilino)furo[3,2-c]chromen-4-one?
The InChIKey is CJWBFCHDCBXQGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19NO4/c1-15-7-3-5-9-19(15)26-24-21(16-11-13-17(28-2)14-12-16)22-23(30-24)18-8-4-6-10-20(18)29-25(22)27/h3-14,26H,1-2H3.
What are the key properties of 3-(4-methoxyphenyl)-2-(2-methylanilino)furo[3,2-c]chromen-4-one?
3-(4-methoxyphenyl)-2-(2-methylanilino)furo[3,2-c]chromen-4-one has a molecular weight of 397.43 g/mol, XLogP of 6.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-2-(2-methylanilino)furo[3,2-c]chromen-4-one is sourced from PubChem (CID 18887609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).