2,5-dimethoxyphenanthridin-6-one

C15H13NO3 — CID 134964837

IUPAC2,5-dimethoxyphenanthridin-6-one
SMILESCOc1ccc2c(c1)c1ccccc1c(=O)n2OC
InChIInChI=1S/C15H13NO3/c1-18-10-7-8-14-13(9-10)11-5-3-4-6-12(11)15(17)16(14)19-2/h3-9H,1-2H3
InChIKeyTYTLJRFGJVZKAR-UHFFFAOYSA-N
MW255.27 g/mol
LogP2.22
Rot. Bonds2

About 2,5-dimethoxyphenanthridin-6-one

2,5-dimethoxyphenanthridin-6-one (PubChem CID 134964837) has the molecular formula C15H13NO3 and a molecular weight of 255.27 g/mol. Its IUPAC name is 2,5-dimethoxyphenanthridin-6-one.

Molecular Properties

Compound Name2,5-dimethoxyphenanthridin-6-one
PubChem CID134964837
Molecular FormulaC15H13NO3
Molecular Weight255.27 g/mol
Exact Mass255.09
IUPAC Name2,5-dimethoxyphenanthridin-6-one
SMILESCOc1ccc2c(c1)c1ccccc1c(=O)n2OC
InChIInChI=1S/C15H13NO3/c1-18-10-7-8-14-13(9-10)11-5-3-4-6-12(11)15(17)16(14)19-2/h3-9H,1-2H3
InChIKeyTYTLJRFGJVZKAR-UHFFFAOYSA-N
XLogP2.22
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-methoxy-[1,3]dioxolo[4,5-b]phenanthridin-5-one
CID 102098309
8-bromo-5-methoxyphenanthridin-6-one
CID 71503853
3-methoxy-9-(trifluoromethyl)carbazole
CID 153297232
4-(4-chlorophenyl)-1,6-dimethoxyquinolin-2-one
CID 135058824
3,8-dimethoxy-5-methylphenanthridin-6-one
CID 164597930
9-methoxy-5-methylcyclohepta[b]indol-6-one
CID 10561977
3-(3-methoxycarbazol-9-yl)propan-1-amine
CID 153297207
5-methyl-2-(trifluoromethoxy)phenanthridin-6-one
CID 138967804
1,2,3-trimethoxyquinolin-4-one
CID 174279293
(2,10-dimethoxy-5,7-dioxobenzo[d][2]benzazepin-6-yl) trifluoromethanesulfonate
CID 118409334
7-chloro-5-methoxyphenanthridin-6-one
CID 139262009
3,6-dimethoxy-9-(2-methylphenyl)carbazole
CID 132915560

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethoxyphenanthridin-6-one?
The IUPAC name of 2,5-dimethoxyphenanthridin-6-one (CID 134964837) is 2,5-dimethoxyphenanthridin-6-one.
What is the SMILES notation for 2,5-dimethoxyphenanthridin-6-one?
The canonical SMILES for 2,5-dimethoxyphenanthridin-6-one is COc1ccc2c(c1)c1ccccc1c(=O)n2OC.
What is the InChIKey of 2,5-dimethoxyphenanthridin-6-one?
The InChIKey is TYTLJRFGJVZKAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO3/c1-18-10-7-8-14-13(9-10)11-5-3-4-6-12(11)15(17)16(14)19-2/h3-9H,1-2H3.
What are the key properties of 2,5-dimethoxyphenanthridin-6-one?
2,5-dimethoxyphenanthridin-6-one has a molecular weight of 255.27 g/mol, XLogP of 2.22, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethoxyphenanthridin-6-one is sourced from PubChem (CID 134964837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).