2-anilino-3-benzoylfuro[3,2-b]chromen-9-one

C24H15NO4 — CID 139191869

IUPAC2-anilino-3-benzoylfuro[3,2-b]chromen-9-one
SMILESO=C(c1ccccc1)c1c(Nc2ccccc2)oc2c(=O)c3ccccc3oc12
InChIInChI=1S/C24H15NO4/c26-20(15-9-3-1-4-10-15)19-22-23(21(27)17-13-7-8-14-18(17)28-22)29-24(19)25-16-11-5-2-6-12-16/h1-14,25H
InChIKeyQOGMWJZJJYUZBC-UHFFFAOYSA-N
MW381.39 g/mol
LogP5.51
Rot. Bonds4

About 2-anilino-3-benzoylfuro[3,2-b]chromen-9-one

2-anilino-3-benzoylfuro[3,2-b]chromen-9-one (PubChem CID 139191869) has the molecular formula C24H15NO4 and a molecular weight of 381.39 g/mol. Its IUPAC name is 2-anilino-3-benzoylfuro[3,2-b]chromen-9-one.

Molecular Properties

Compound Name2-anilino-3-benzoylfuro[3,2-b]chromen-9-one
PubChem CID139191869
Molecular FormulaC24H15NO4
Molecular Weight381.39 g/mol
Exact Mass381.10
IUPAC Name2-anilino-3-benzoylfuro[3,2-b]chromen-9-one
SMILESO=C(c1ccccc1)c1c(Nc2ccccc2)oc2c(=O)c3ccccc3oc12
InChIInChI=1S/C24H15NO4/c26-20(15-9-3-1-4-10-15)19-22-23(21(27)17-13-7-8-14-18(17)28-22)29-24(19)25-16-11-5-2-6-12-16/h1-14,25H
InChIKeyQOGMWJZJJYUZBC-UHFFFAOYSA-N
XLogP5.51
TPSA72.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.39
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-anilino-3-benzoylfuro[3,2-b]chromen-9-one?
The IUPAC name of 2-anilino-3-benzoylfuro[3,2-b]chromen-9-one (CID 139191869) is 2-anilino-3-benzoylfuro[3,2-b]chromen-9-one.
What is the SMILES notation for 2-anilino-3-benzoylfuro[3,2-b]chromen-9-one?
The canonical SMILES for 2-anilino-3-benzoylfuro[3,2-b]chromen-9-one is O=C(c1ccccc1)c1c(Nc2ccccc2)oc2c(=O)c3ccccc3oc12.
What is the InChIKey of 2-anilino-3-benzoylfuro[3,2-b]chromen-9-one?
The InChIKey is QOGMWJZJJYUZBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15NO4/c26-20(15-9-3-1-4-10-15)19-22-23(21(27)17-13-7-8-14-18(17)28-22)29-24(19)25-16-11-5-2-6-12-16/h1-14,25H.
What are the key properties of 2-anilino-3-benzoylfuro[3,2-b]chromen-9-one?
2-anilino-3-benzoylfuro[3,2-b]chromen-9-one has a molecular weight of 381.39 g/mol, XLogP of 5.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-3-benzoylfuro[3,2-b]chromen-9-one is sourced from PubChem (CID 139191869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).