8,9-dimethoxy-5-methylbenzo[c]phenanthridin-6-one

C20H17NO3 — CID 10245385

IUPAC8,9-dimethoxy-5-methylbenzo[c]phenanthridin-6-one
SMILESCOc1cc2c(=O)n(C)c3c4ccccc4ccc3c2cc1OC
InChIInChI=1S/C20H17NO3/c1-21-19-13-7-5-4-6-12(13)8-9-14(19)15-10-17(23-2)18(24-3)11-16(15)20(21)22/h4-11H,1-3H3
InChIKeyKMLFUSNKFOUSMW-UHFFFAOYSA-N
MW319.36 g/mol
LogP3.86
Rot. Bonds2

About 8,9-dimethoxy-5-methylbenzo[c]phenanthridin-6-one

8,9-dimethoxy-5-methylbenzo[c]phenanthridin-6-one (PubChem CID 10245385) has the molecular formula C20H17NO3 and a molecular weight of 319.36 g/mol. Its IUPAC name is 8,9-dimethoxy-5-methylbenzo[c]phenanthridin-6-one.

Molecular Properties

Compound Name8,9-dimethoxy-5-methylbenzo[c]phenanthridin-6-one
PubChem CID10245385
Molecular FormulaC20H17NO3
Molecular Weight319.36 g/mol
Exact Mass319.12
IUPAC Name8,9-dimethoxy-5-methylbenzo[c]phenanthridin-6-one
SMILESCOc1cc2c(=O)n(C)c3c4ccccc4ccc3c2cc1OC
InChIInChI=1S/C20H17NO3/c1-21-19-13-7-5-4-6-12(13)8-9-14(19)15-10-17(23-2)18(24-3)11-16(15)20(21)22/h4-11H,1-3H3
InChIKeyKMLFUSNKFOUSMW-UHFFFAOYSA-N
XLogP3.86
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 53.86
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

12,33-dimethyl-12,33-diazanonacyclo[33.7.1.114,22.02,11.05,10.015,20.023,32.026,31.036,41]tetratetraconta-1(42),2(11),3,5,7,9,14(44),15,17,19,21,23(32),24,26,28,30,35(43),36,38,40-icosaene-13,34-dione
CID 58568504
5,6-dimethoxytricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-one
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6-methoxychrysene
CID 12935769
12,13-dimethoxy-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),6,8,10,12,14-heptaen-2-one
CID 134391780
5-ethyl-4-(hydroxymethyl)-8,9-dimethoxyphenanthridin-6-one
CID 148927508
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2-(8-methoxy-1-methyl-2-oxoquinolin-3-yl)acetonitrile
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5-methoxybenzo[c]phenanthrene
CID 621003
3-(chloromethyl)-8-methoxy-1-methylquinolin-2-one
CID 4914636
6,7-dimethoxy-N-methylphenanthren-9-amine
CID 15503356
[2-[(9-methoxy-5-methyl-6-oxoisoquinolino[4,3-c]quinolin-8-yl)oxycarbonyl-methylamino]phenyl] propanoate
CID 91380077
12-methyl-12-azapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18,20-decaene-7-carbonitrile
CID 118860561

Frequently Asked Questions

What is the IUPAC name of 8,9-dimethoxy-5-methylbenzo[c]phenanthridin-6-one?
The IUPAC name of 8,9-dimethoxy-5-methylbenzo[c]phenanthridin-6-one (CID 10245385) is 8,9-dimethoxy-5-methylbenzo[c]phenanthridin-6-one.
What is the SMILES notation for 8,9-dimethoxy-5-methylbenzo[c]phenanthridin-6-one?
The canonical SMILES for 8,9-dimethoxy-5-methylbenzo[c]phenanthridin-6-one is COc1cc2c(=O)n(C)c3c4ccccc4ccc3c2cc1OC.
What is the InChIKey of 8,9-dimethoxy-5-methylbenzo[c]phenanthridin-6-one?
The InChIKey is KMLFUSNKFOUSMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO3/c1-21-19-13-7-5-4-6-12(13)8-9-14(19)15-10-17(23-2)18(24-3)11-16(15)20(21)22/h4-11H,1-3H3.
What are the key properties of 8,9-dimethoxy-5-methylbenzo[c]phenanthridin-6-one?
8,9-dimethoxy-5-methylbenzo[c]phenanthridin-6-one has a molecular weight of 319.36 g/mol, XLogP of 3.86, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8,9-dimethoxy-5-methylbenzo[c]phenanthridin-6-one is sourced from PubChem (CID 10245385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).