2-[(E)-(4-methoxyphenyl)methylideneamino]-3-phenylfuro[3,2-c]chromen-4-one

C25H17NO4 — CID 177479464

IUPAC2-[(E)-(4-methoxyphenyl)methylideneamino]-3-phenylfuro[3,2-c]chromen-4-one
SMILESCOc1ccc(/C=N/c2oc3c(c2-c2ccccc2)c(=O)oc2ccccc23)cc1
InChIInChI=1S/C25H17NO4/c1-28-18-13-11-16(12-14-18)15-26-24-21(17-7-3-2-4-8-17)22-23(30-24)19-9-5-6-10-20(19)29-25(22)27/h2-15H,1H3/b26-15+
InChIKeyOCCJHQAIDNNXTP-CVKSISIWSA-N
MW395.41 g/mol
LogP5.97
Rot. Bonds4

About 2-[(E)-(4-methoxyphenyl)methylideneamino]-3-phenylfuro[3,2-c]chromen-4-one

2-[(E)-(4-methoxyphenyl)methylideneamino]-3-phenylfuro[3,2-c]chromen-4-one (PubChem CID 177479464) has the molecular formula C25H17NO4 and a molecular weight of 395.41 g/mol. Its IUPAC name is 2-[(E)-(4-methoxyphenyl)methylideneamino]-3-phenylfuro[3,2-c]chromen-4-one.

Molecular Properties

Compound Name2-[(E)-(4-methoxyphenyl)methylideneamino]-3-phenylfuro[3,2-c]chromen-4-one
PubChem CID177479464
Molecular FormulaC25H17NO4
Molecular Weight395.41 g/mol
Exact Mass395.12
IUPAC Name2-[(E)-(4-methoxyphenyl)methylideneamino]-3-phenylfuro[3,2-c]chromen-4-one
SMILESCOc1ccc(/C=N/c2oc3c(c2-c2ccccc2)c(=O)oc2ccccc23)cc1
InChIInChI=1S/C25H17NO4/c1-28-18-13-11-16(12-14-18)15-26-24-21(17-7-3-2-4-8-17)22-23(30-24)19-9-5-6-10-20(19)29-25(22)27/h2-15H,1H3/b26-15+
InChIKeyOCCJHQAIDNNXTP-CVKSISIWSA-N
XLogP5.97
TPSA64.94 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.41
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-(4-methoxyphenyl)methylideneamino]-3-phenylfuro[3,2-c]chromen-4-one?
The IUPAC name of 2-[(E)-(4-methoxyphenyl)methylideneamino]-3-phenylfuro[3,2-c]chromen-4-one (CID 177479464) is 2-[(E)-(4-methoxyphenyl)methylideneamino]-3-phenylfuro[3,2-c]chromen-4-one.
What is the SMILES notation for 2-[(E)-(4-methoxyphenyl)methylideneamino]-3-phenylfuro[3,2-c]chromen-4-one?
The canonical SMILES for 2-[(E)-(4-methoxyphenyl)methylideneamino]-3-phenylfuro[3,2-c]chromen-4-one is COc1ccc(/C=N/c2oc3c(c2-c2ccccc2)c(=O)oc2ccccc23)cc1.
What is the InChIKey of 2-[(E)-(4-methoxyphenyl)methylideneamino]-3-phenylfuro[3,2-c]chromen-4-one?
The InChIKey is OCCJHQAIDNNXTP-CVKSISIWSA-N. The full InChI is InChI=1S/C25H17NO4/c1-28-18-13-11-16(12-14-18)15-26-24-21(17-7-3-2-4-8-17)22-23(30-24)19-9-5-6-10-20(19)29-25(22)27/h2-15H,1H3/b26-15+.
What are the key properties of 2-[(E)-(4-methoxyphenyl)methylideneamino]-3-phenylfuro[3,2-c]chromen-4-one?
2-[(E)-(4-methoxyphenyl)methylideneamino]-3-phenylfuro[3,2-c]chromen-4-one has a molecular weight of 395.41 g/mol, XLogP of 5.97, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-(4-methoxyphenyl)methylideneamino]-3-phenylfuro[3,2-c]chromen-4-one is sourced from PubChem (CID 177479464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).