4,9-dimethoxy-1-methyl-6H-benzo[g]quinoline

C16H17NO2 — CID 158132535

IUPAC4,9-dimethoxy-1-methyl-6H-benzo[g]quinoline
SMILESCOC1=c2cc3c(cc2CC=C1)=C(OC)C=CN3C
InChIInChI=1S/C16H17NO2/c1-17-8-7-16(19-3)13-9-11-5-4-6-15(18-2)12(11)10-14(13)17/h4,6-10H,5H2,1-3H3
InChIKeyFSYLQGBOANDSBW-UHFFFAOYSA-N
MW255.32 g/mol
LogP1.27
Rot. Bonds2

About 4,9-dimethoxy-1-methyl-6H-benzo[g]quinoline

4,9-dimethoxy-1-methyl-6H-benzo[g]quinoline (PubChem CID 158132535) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 4,9-dimethoxy-1-methyl-6H-benzo[g]quinoline.

Molecular Properties

Compound Name4,9-dimethoxy-1-methyl-6H-benzo[g]quinoline
PubChem CID158132535
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name4,9-dimethoxy-1-methyl-6H-benzo[g]quinoline
SMILESCOC1=c2cc3c(cc2CC=C1)=C(OC)C=CN3C
InChIInChI=1S/C16H17NO2/c1-17-8-7-16(19-3)13-9-11-5-4-6-15(18-2)12(11)10-14(13)17/h4,6-10H,5H2,1-3H3
InChIKeyFSYLQGBOANDSBW-UHFFFAOYSA-N
XLogP1.27
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,9-dimethoxy-1-methyl-6H-benzo[g]quinoline?
The IUPAC name of 4,9-dimethoxy-1-methyl-6H-benzo[g]quinoline (CID 158132535) is 4,9-dimethoxy-1-methyl-6H-benzo[g]quinoline.
What is the SMILES notation for 4,9-dimethoxy-1-methyl-6H-benzo[g]quinoline?
The canonical SMILES for 4,9-dimethoxy-1-methyl-6H-benzo[g]quinoline is COC1=c2cc3c(cc2CC=C1)=C(OC)C=CN3C.
What is the InChIKey of 4,9-dimethoxy-1-methyl-6H-benzo[g]quinoline?
The InChIKey is FSYLQGBOANDSBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c1-17-8-7-16(19-3)13-9-11-5-4-6-15(18-2)12(11)10-14(13)17/h4,6-10H,5H2,1-3H3.
What are the key properties of 4,9-dimethoxy-1-methyl-6H-benzo[g]quinoline?
4,9-dimethoxy-1-methyl-6H-benzo[g]quinoline has a molecular weight of 255.32 g/mol, XLogP of 1.27, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,9-dimethoxy-1-methyl-6H-benzo[g]quinoline is sourced from PubChem (CID 158132535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).