9-(furan-2-yl)-7-(4-methoxyanilino)-5H-phenanthridin-6-one

C24H18N2O3 — CID 162643908

IUPAC9-(furan-2-yl)-7-(4-methoxyanilino)-5H-phenanthridin-6-one
SMILESCOc1ccc(Nc2cc(-c3ccco3)cc3c2c(=O)[nH]c2ccccc23)cc1
InChIInChI=1S/C24H18N2O3/c1-28-17-10-8-16(9-11-17)25-21-14-15(22-7-4-12-29-22)13-19-18-5-2-3-6-20(18)26-24(27)23(19)21/h2-14,25H,1H3,(H,26,27)
InChIKeyHSRZYXKJFZIDIO-UHFFFAOYSA-N
MW382.42 g/mol
LogP5.69
Rot. Bonds4

About 9-(furan-2-yl)-7-(4-methoxyanilino)-5H-phenanthridin-6-one

9-(furan-2-yl)-7-(4-methoxyanilino)-5H-phenanthridin-6-one (PubChem CID 162643908) has the molecular formula C24H18N2O3 and a molecular weight of 382.42 g/mol. Its IUPAC name is 9-(furan-2-yl)-7-(4-methoxyanilino)-5H-phenanthridin-6-one.

Molecular Properties

Compound Name9-(furan-2-yl)-7-(4-methoxyanilino)-5H-phenanthridin-6-one
PubChem CID162643908
Molecular FormulaC24H18N2O3
Molecular Weight382.42 g/mol
Exact Mass382.13
IUPAC Name9-(furan-2-yl)-7-(4-methoxyanilino)-5H-phenanthridin-6-one
SMILESCOc1ccc(Nc2cc(-c3ccco3)cc3c2c(=O)[nH]c2ccccc23)cc1
InChIInChI=1S/C24H18N2O3/c1-28-17-10-8-16(9-11-17)25-21-14-15(22-7-4-12-29-22)13-19-18-5-2-3-6-20(18)26-24(27)23(19)21/h2-14,25H,1H3,(H,26,27)
InChIKeyHSRZYXKJFZIDIO-UHFFFAOYSA-N
XLogP5.69
TPSA67.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.42
LogP ≤ 55.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-(furan-2-yl)-7-(4-methoxyanilino)-5H-phenanthridin-6-one?
The IUPAC name of 9-(furan-2-yl)-7-(4-methoxyanilino)-5H-phenanthridin-6-one (CID 162643908) is 9-(furan-2-yl)-7-(4-methoxyanilino)-5H-phenanthridin-6-one.
What is the SMILES notation for 9-(furan-2-yl)-7-(4-methoxyanilino)-5H-phenanthridin-6-one?
The canonical SMILES for 9-(furan-2-yl)-7-(4-methoxyanilino)-5H-phenanthridin-6-one is COc1ccc(Nc2cc(-c3ccco3)cc3c2c(=O)[nH]c2ccccc23)cc1.
What is the InChIKey of 9-(furan-2-yl)-7-(4-methoxyanilino)-5H-phenanthridin-6-one?
The InChIKey is HSRZYXKJFZIDIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N2O3/c1-28-17-10-8-16(9-11-17)25-21-14-15(22-7-4-12-29-22)13-19-18-5-2-3-6-20(18)26-24(27)23(19)21/h2-14,25H,1H3,(H,26,27).
What are the key properties of 9-(furan-2-yl)-7-(4-methoxyanilino)-5H-phenanthridin-6-one?
9-(furan-2-yl)-7-(4-methoxyanilino)-5H-phenanthridin-6-one has a molecular weight of 382.42 g/mol, XLogP of 5.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(furan-2-yl)-7-(4-methoxyanilino)-5H-phenanthridin-6-one is sourced from PubChem (CID 162643908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).