4-methyl-9-phenyl-8-(pyridine-2-carbonyl)furo[2,3-h]chromen-2-one

C24H15NO4 — CID 44600531

IUPAC4-methyl-9-phenyl-8-(pyridine-2-carbonyl)furo[2,3-h]chromen-2-one
SMILESCc1cc(=O)oc2c1ccc1oc(C(=O)c3ccccn3)c(-c3ccccc3)c12
InChIInChI=1S/C24H15NO4/c1-14-13-19(26)29-23-16(14)10-11-18-21(23)20(15-7-3-2-4-8-15)24(28-18)22(27)17-9-5-6-12-25-17/h2-13H,1H3
InChIKeySQMQHDPWVIDDLG-UHFFFAOYSA-N
MW381.39 g/mol
LogP5.14
Rot. Bonds3

About 4-methyl-9-phenyl-8-(pyridine-2-carbonyl)furo[2,3-h]chromen-2-one

4-methyl-9-phenyl-8-(pyridine-2-carbonyl)furo[2,3-h]chromen-2-one (PubChem CID 44600531) has the molecular formula C24H15NO4 and a molecular weight of 381.39 g/mol. Its IUPAC name is 4-methyl-9-phenyl-8-(pyridine-2-carbonyl)furo[2,3-h]chromen-2-one.

Molecular Properties

Compound Name4-methyl-9-phenyl-8-(pyridine-2-carbonyl)furo[2,3-h]chromen-2-one
PubChem CID44600531
Molecular FormulaC24H15NO4
Molecular Weight381.39 g/mol
Exact Mass381.10
IUPAC Name4-methyl-9-phenyl-8-(pyridine-2-carbonyl)furo[2,3-h]chromen-2-one
SMILESCc1cc(=O)oc2c1ccc1oc(C(=O)c3ccccn3)c(-c3ccccc3)c12
InChIInChI=1S/C24H15NO4/c1-14-13-19(26)29-23-16(14)10-11-18-21(23)20(15-7-3-2-4-8-15)24(28-18)22(27)17-9-5-6-12-25-17/h2-13H,1H3
InChIKeySQMQHDPWVIDDLG-UHFFFAOYSA-N
XLogP5.14
TPSA73.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.39
LogP ≤ 55.14
H-Bond Donors ≤ 50
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 4-methyl-9-phenyl-8-(pyridine-2-carbonyl)furo[2,3-h]chromen-2-one?
The IUPAC name of 4-methyl-9-phenyl-8-(pyridine-2-carbonyl)furo[2,3-h]chromen-2-one (CID 44600531) is 4-methyl-9-phenyl-8-(pyridine-2-carbonyl)furo[2,3-h]chromen-2-one.
What is the SMILES notation for 4-methyl-9-phenyl-8-(pyridine-2-carbonyl)furo[2,3-h]chromen-2-one?
The canonical SMILES for 4-methyl-9-phenyl-8-(pyridine-2-carbonyl)furo[2,3-h]chromen-2-one is Cc1cc(=O)oc2c1ccc1oc(C(=O)c3ccccn3)c(-c3ccccc3)c12.
What is the InChIKey of 4-methyl-9-phenyl-8-(pyridine-2-carbonyl)furo[2,3-h]chromen-2-one?
The InChIKey is SQMQHDPWVIDDLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15NO4/c1-14-13-19(26)29-23-16(14)10-11-18-21(23)20(15-7-3-2-4-8-15)24(28-18)22(27)17-9-5-6-12-25-17/h2-13H,1H3.
What are the key properties of 4-methyl-9-phenyl-8-(pyridine-2-carbonyl)furo[2,3-h]chromen-2-one?
4-methyl-9-phenyl-8-(pyridine-2-carbonyl)furo[2,3-h]chromen-2-one has a molecular weight of 381.39 g/mol, XLogP of 5.14, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-9-phenyl-8-(pyridine-2-carbonyl)furo[2,3-h]chromen-2-one is sourced from PubChem (CID 44600531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).