3,8-dimethoxy-5-methyl-1,2-dihydrophenanthridin-6-one

C16H17NO3 — CID 170746159

IUPAC3,8-dimethoxy-5-methyl-1,2-dihydrophenanthridin-6-one
SMILESCOC1=Cc2c(c3ccc(OC)cc3c(=O)n2C)CC1
InChIInChI=1S/C16H17NO3/c1-17-15-9-11(20-3)5-7-13(15)12-6-4-10(19-2)8-14(12)16(17)18/h4,6,8-9H,5,7H2,1-3H3
InChIKeyKOIAWAFUFQRMOH-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.48
Rot. Bonds2

About 3,8-dimethoxy-5-methyl-1,2-dihydrophenanthridin-6-one

3,8-dimethoxy-5-methyl-1,2-dihydrophenanthridin-6-one (PubChem CID 170746159) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is 3,8-dimethoxy-5-methyl-1,2-dihydrophenanthridin-6-one.

Molecular Properties

Compound Name3,8-dimethoxy-5-methyl-1,2-dihydrophenanthridin-6-one
PubChem CID170746159
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Name3,8-dimethoxy-5-methyl-1,2-dihydrophenanthridin-6-one
SMILESCOC1=Cc2c(c3ccc(OC)cc3c(=O)n2C)CC1
InChIInChI=1S/C16H17NO3/c1-17-15-9-11(20-3)5-7-13(15)12-6-4-10(19-2)8-14(12)16(17)18/h4,6,8-9H,5,7H2,1-3H3
InChIKeyKOIAWAFUFQRMOH-UHFFFAOYSA-N
XLogP2.48
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3,8-dimethoxy-5-methylphenanthridin-6-one
CID 164597930
7-methoxy-2,4-dimethylisoquinolin-1-one
CID 115022865
5,7-dimethoxy-1,2-dihydrocyclopenta[a]naphthalen-3-one
CID 15573852
3,4,7-trimethoxy-1-methylquinolin-2-one
CID 20676861
6-methoxy-10-methyl-1,2-dihydroacridin-9-one
CID 134892334
3,6-dimethoxy-1,2-dihydronaphthalene
CID 13364263
2-amino-7-methoxy-3-methylquinazolin-4-one
CID 84778294
7-methoxy-2-methyl-3-phenylisoquinolin-1-one
CID 12931131
9-methoxy-2,2,6-trimethyl-3,4-dihydropyrano[3,2-c]quinolin-5-one
CID 10492487
2-ethyl-7-methoxy-4-methylisoquinolin-1-one
CID 115030040
4-ethyl-6-methoxy-2-methylisoquinolin-1-one
CID 115063438
4-hydroxy-3,7-dimethoxy-1-methylquinolin-2-one
CID 54737447

Frequently Asked Questions

What is the IUPAC name of 3,8-dimethoxy-5-methyl-1,2-dihydrophenanthridin-6-one?
The IUPAC name of 3,8-dimethoxy-5-methyl-1,2-dihydrophenanthridin-6-one (CID 170746159) is 3,8-dimethoxy-5-methyl-1,2-dihydrophenanthridin-6-one.
What is the SMILES notation for 3,8-dimethoxy-5-methyl-1,2-dihydrophenanthridin-6-one?
The canonical SMILES for 3,8-dimethoxy-5-methyl-1,2-dihydrophenanthridin-6-one is COC1=Cc2c(c3ccc(OC)cc3c(=O)n2C)CC1.
What is the InChIKey of 3,8-dimethoxy-5-methyl-1,2-dihydrophenanthridin-6-one?
The InChIKey is KOIAWAFUFQRMOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c1-17-15-9-11(20-3)5-7-13(15)12-6-4-10(19-2)8-14(12)16(17)18/h4,6,8-9H,5,7H2,1-3H3.
What are the key properties of 3,8-dimethoxy-5-methyl-1,2-dihydrophenanthridin-6-one?
3,8-dimethoxy-5-methyl-1,2-dihydrophenanthridin-6-one has a molecular weight of 271.32 g/mol, XLogP of 2.48, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,8-dimethoxy-5-methyl-1,2-dihydrophenanthridin-6-one is sourced from PubChem (CID 170746159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).