6-methoxy-12-methylbenzo[b][1,10]phenanthrolin-7-one

C18H14N2O2 — CID 11077129

IUPAC6-methoxy-12-methylbenzo[b][1,10]phenanthrolin-7-one
SMILESCOc1cc2cccnc2c2c1c(=O)c1ccccc1n2C
InChIInChI=1S/C18H14N2O2/c1-20-13-8-4-3-7-12(13)18(21)15-14(22-2)10-11-6-5-9-19-16(11)17(15)20/h3-10H,1-2H3
InChIKeyFOHOYQLJMMMDBY-UHFFFAOYSA-N
MW290.32 g/mol
LogP3.25
Rot. Bonds1

About 6-methoxy-12-methylbenzo[b][1,10]phenanthrolin-7-one

6-methoxy-12-methylbenzo[b][1,10]phenanthrolin-7-one (PubChem CID 11077129) has the molecular formula C18H14N2O2 and a molecular weight of 290.32 g/mol. Its IUPAC name is 6-methoxy-12-methylbenzo[b][1,10]phenanthrolin-7-one.

Molecular Properties

Compound Name6-methoxy-12-methylbenzo[b][1,10]phenanthrolin-7-one
PubChem CID11077129
Molecular FormulaC18H14N2O2
Molecular Weight290.32 g/mol
Exact Mass290.11
IUPAC Name6-methoxy-12-methylbenzo[b][1,10]phenanthrolin-7-one
SMILESCOc1cc2cccnc2c2c1c(=O)c1ccccc1n2C
InChIInChI=1S/C18H14N2O2/c1-20-13-8-4-3-7-12(13)18(21)15-14(22-2)10-11-6-5-9-19-16(11)17(15)20/h3-10H,1-2H3
InChIKeyFOHOYQLJMMMDBY-UHFFFAOYSA-N
XLogP3.25
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

1,2-dihydroxy-6-methoxy-3,3,12-trimethyl-1,2-dihydropyrano[2,3-c]acridin-7-one
CID 21125486
3-(2,3-dihydroxypropoxy)-1-methoxy-10-methylacridin-9-one
CID 45113521
1-hydroxy-2,3-dimethoxy-10-methylacridin-9-one
CID 5281832
1,3-dihydroxy-2,4-dimethoxy-10-methylacridin-9-one
CID 102480133
5,10,11-trimethylpyrido[2,3-b]carbazole
CID 155813687
6,7-dimethoxy-8-nitroquinoline
CID 616387
1-hydroxy-2-iodo-3-methoxy-10-methylacridin-9-one
CID 14846764
4-methoxy-5-methylpyrido[3,2-b]indole-2-carboxylic acid
CID 10563006
(1R,2S)-1-hydroxy-2-iodo-6-methoxy-3,3,12-trimethyl-1,2-dihydropyrano[2,3-c]acridin-7-one
CID 100974610
(3S,7S)-12-methoxy-8,8,21-trimethyl-5-sulfanylidene-4,6,9-trioxa-21-azapentacyclo[11.8.0.02,10.03,7.015,20]henicosa-1,10,12,15,17,19-hexaen-14-one
CID 100974618
1,3-dimethoxy-5-methylquinolino[2,3-b]quinolin-12-one
CID 68586093
10-methoxy-20-methyl-5,10,20-triazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene
CID 91474619

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-12-methylbenzo[b][1,10]phenanthrolin-7-one?
The IUPAC name of 6-methoxy-12-methylbenzo[b][1,10]phenanthrolin-7-one (CID 11077129) is 6-methoxy-12-methylbenzo[b][1,10]phenanthrolin-7-one.
What is the SMILES notation for 6-methoxy-12-methylbenzo[b][1,10]phenanthrolin-7-one?
The canonical SMILES for 6-methoxy-12-methylbenzo[b][1,10]phenanthrolin-7-one is COc1cc2cccnc2c2c1c(=O)c1ccccc1n2C.
What is the InChIKey of 6-methoxy-12-methylbenzo[b][1,10]phenanthrolin-7-one?
The InChIKey is FOHOYQLJMMMDBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O2/c1-20-13-8-4-3-7-12(13)18(21)15-14(22-2)10-11-6-5-9-19-16(11)17(15)20/h3-10H,1-2H3.
What are the key properties of 6-methoxy-12-methylbenzo[b][1,10]phenanthrolin-7-one?
6-methoxy-12-methylbenzo[b][1,10]phenanthrolin-7-one has a molecular weight of 290.32 g/mol, XLogP of 3.25, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-12-methylbenzo[b][1,10]phenanthrolin-7-one is sourced from PubChem (CID 11077129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).