2,3,7,8-tetramethoxy-5-[(4-nitrophenyl)methyl]phenanthridin-6-one

C24H22N2O7 — CID 10366490

IUPAC2,3,7,8-tetramethoxy-5-[(4-nitrophenyl)methyl]phenanthridin-6-one
SMILESCOc1cc2c3ccc(OC)c(OC)c3c(=O)n(Cc3ccc([N+](=O)[O-])cc3)c2cc1OC
InChIInChI=1S/C24H22N2O7/c1-30-19-10-9-16-17-11-20(31-2)21(32-3)12-18(17)25(24(27)22(16)23(19)33-4)13-14-5-7-15(8-6-14)26(28)29/h5-12H,13H2,1-4H3
InChIKeyPHLZCZLSMDZUSR-UHFFFAOYSA-N
MW450.45 g/mol
LogP4.15
Rot. Bonds7

About 2,3,7,8-tetramethoxy-5-[(4-nitrophenyl)methyl]phenanthridin-6-one

2,3,7,8-tetramethoxy-5-[(4-nitrophenyl)methyl]phenanthridin-6-one (PubChem CID 10366490) has the molecular formula C24H22N2O7 and a molecular weight of 450.45 g/mol. Its IUPAC name is 2,3,7,8-tetramethoxy-5-[(4-nitrophenyl)methyl]phenanthridin-6-one.

Molecular Properties

Compound Name2,3,7,8-tetramethoxy-5-[(4-nitrophenyl)methyl]phenanthridin-6-one
PubChem CID10366490
Molecular FormulaC24H22N2O7
Molecular Weight450.45 g/mol
Exact Mass450.14
IUPAC Name2,3,7,8-tetramethoxy-5-[(4-nitrophenyl)methyl]phenanthridin-6-one
SMILESCOc1cc2c3ccc(OC)c(OC)c3c(=O)n(Cc3ccc([N+](=O)[O-])cc3)c2cc1OC
InChIInChI=1S/C24H22N2O7/c1-30-19-10-9-16-17-11-20(31-2)21(32-3)12-18(17)25(24(27)22(16)23(19)33-4)13-14-5-7-15(8-6-14)26(28)29/h5-12H,13H2,1-4H3
InChIKeyPHLZCZLSMDZUSR-UHFFFAOYSA-N
XLogP4.15
TPSA102.06 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.45
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 2,3,7,8-tetramethoxy-5-[(4-nitrophenyl)methyl]phenanthridin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,3,7,8-tetramethoxy-5-[(4-nitrophenyl)methyl]phenanthridin-6-one?
The IUPAC name of 2,3,7,8-tetramethoxy-5-[(4-nitrophenyl)methyl]phenanthridin-6-one (CID 10366490) is 2,3,7,8-tetramethoxy-5-[(4-nitrophenyl)methyl]phenanthridin-6-one.
What is the SMILES notation for 2,3,7,8-tetramethoxy-5-[(4-nitrophenyl)methyl]phenanthridin-6-one?
The canonical SMILES for 2,3,7,8-tetramethoxy-5-[(4-nitrophenyl)methyl]phenanthridin-6-one is COc1cc2c3ccc(OC)c(OC)c3c(=O)n(Cc3ccc([N+](=O)[O-])cc3)c2cc1OC.
What is the InChIKey of 2,3,7,8-tetramethoxy-5-[(4-nitrophenyl)methyl]phenanthridin-6-one?
The InChIKey is PHLZCZLSMDZUSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O7/c1-30-19-10-9-16-17-11-20(31-2)21(32-3)12-18(17)25(24(27)22(16)23(19)33-4)13-14-5-7-15(8-6-14)26(28)29/h5-12H,13H2,1-4H3.
What are the key properties of 2,3,7,8-tetramethoxy-5-[(4-nitrophenyl)methyl]phenanthridin-6-one?
2,3,7,8-tetramethoxy-5-[(4-nitrophenyl)methyl]phenanthridin-6-one has a molecular weight of 450.45 g/mol, XLogP of 4.15, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,7,8-tetramethoxy-5-[(4-nitrophenyl)methyl]phenanthridin-6-one is sourced from PubChem (CID 10366490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).