1,3,8,9-tetramethoxy-5H-phenanthridin-6-one

C17H17NO5 — CID 12803228

IUPAC1,3,8,9-tetramethoxy-5H-phenanthridin-6-one
SMILESCOc1cc(OC)c2c(c1)[nH]c(=O)c1cc(OC)c(OC)cc12
InChIInChI=1S/C17H17NO5/c1-20-9-5-12-16(15(6-9)23-4)10-7-13(21-2)14(22-3)8-11(10)17(19)18-12/h5-8H,1-4H3,(H,18,19)
InChIKeyKAJHRFNGHQKHSW-UHFFFAOYSA-N
MW315.33 g/mol
LogP2.72
Rot. Bonds4

About 1,3,8,9-tetramethoxy-5H-phenanthridin-6-one

1,3,8,9-tetramethoxy-5H-phenanthridin-6-one (PubChem CID 12803228) has the molecular formula C17H17NO5 and a molecular weight of 315.33 g/mol. Its IUPAC name is 1,3,8,9-tetramethoxy-5H-phenanthridin-6-one.

Molecular Properties

Compound Name1,3,8,9-tetramethoxy-5H-phenanthridin-6-one
PubChem CID12803228
Molecular FormulaC17H17NO5
Molecular Weight315.33 g/mol
Exact Mass315.11
IUPAC Name1,3,8,9-tetramethoxy-5H-phenanthridin-6-one
SMILESCOc1cc(OC)c2c(c1)[nH]c(=O)c1cc(OC)c(OC)cc12
InChIInChI=1S/C17H17NO5/c1-20-9-5-12-16(15(6-9)23-4)10-7-13(21-2)14(22-3)8-11(10)17(19)18-12/h5-8H,1-4H3,(H,18,19)
InChIKeyKAJHRFNGHQKHSW-UHFFFAOYSA-N
XLogP2.72
TPSA69.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

8,9-dimethoxy-5H-phenanthridin-6-one
CID 12703535
5,7-dimethoxy-3-(4-methoxyphenyl)-1H-quinazoline-2,4-dione
CID 11580706
3-(1-aminoethyl)-5,7-dimethoxy-1H-quinolin-2-one
CID 84633036
5,7-dimethoxy-4-phenyl-1H-quinolin-2-one
CID 91614117
2-(4-fluorophenyl)-3,5,7-trimethoxy-1H-quinolin-4-one
CID 10806224
6,7-dimethoxy-1H-quinazoline-2,4-dione;hydrochloride
CID 139789848
3-(4-hydroxyphenyl)-5,7-dimethoxy-1H-quinolin-2-one
CID 10990147
7-methoxy-5-methyl-1,4-dihydroquinoxaline-2,3-dione
CID 142746096
3-methoxy-5H-phenanthridin-6-one
CID 12706603
5,7-dimethoxy-2H-phthalazin-1-one
CID 21138693
3-fluoro-6,7-dimethoxy-4-methyl-1H-quinolin-2-one
CID 141228564
6,12-bis(4-chlorophenyl)-1,3,7,9-tetramethoxy-5,6,11,12-tetrahydroindolo[3,2-b]carbazole
CID 11966455

Frequently Asked Questions

What is the IUPAC name of 1,3,8,9-tetramethoxy-5H-phenanthridin-6-one?
The IUPAC name of 1,3,8,9-tetramethoxy-5H-phenanthridin-6-one (CID 12803228) is 1,3,8,9-tetramethoxy-5H-phenanthridin-6-one.
What is the SMILES notation for 1,3,8,9-tetramethoxy-5H-phenanthridin-6-one?
The canonical SMILES for 1,3,8,9-tetramethoxy-5H-phenanthridin-6-one is COc1cc(OC)c2c(c1)[nH]c(=O)c1cc(OC)c(OC)cc12.
What is the InChIKey of 1,3,8,9-tetramethoxy-5H-phenanthridin-6-one?
The InChIKey is KAJHRFNGHQKHSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO5/c1-20-9-5-12-16(15(6-9)23-4)10-7-13(21-2)14(22-3)8-11(10)17(19)18-12/h5-8H,1-4H3,(H,18,19).
What are the key properties of 1,3,8,9-tetramethoxy-5H-phenanthridin-6-one?
1,3,8,9-tetramethoxy-5H-phenanthridin-6-one has a molecular weight of 315.33 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,8,9-tetramethoxy-5H-phenanthridin-6-one is sourced from PubChem (CID 12803228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).