7,10-dimethoxy-4-methyl-2,3,4a,5,6,10-hexahydro-1H-benzo[f]quinoline

C16H23NO2 — CID 70485568

IUPAC7,10-dimethoxy-4-methyl-2,3,4a,5,6,10-hexahydro-1H-benzo[f]quinoline
SMILESCOC1=C2CCC3C(=C2C(OC)C=C1)CCCN3C
InChIInChI=1S/C16H23NO2/c1-17-10-4-5-11-13(17)7-6-12-14(18-2)8-9-15(19-3)16(11)12/h8-9,13,15H,4-7,10H2,1-3H3
InChIKeyKEPYJSAGRYDQFO-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.66
Rot. Bonds2

About 7,10-dimethoxy-4-methyl-2,3,4a,5,6,10-hexahydro-1H-benzo[f]quinoline

7,10-dimethoxy-4-methyl-2,3,4a,5,6,10-hexahydro-1H-benzo[f]quinoline (PubChem CID 70485568) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 7,10-dimethoxy-4-methyl-2,3,4a,5,6,10-hexahydro-1H-benzo[f]quinoline.

Molecular Properties

Compound Name7,10-dimethoxy-4-methyl-2,3,4a,5,6,10-hexahydro-1H-benzo[f]quinoline
PubChem CID70485568
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name7,10-dimethoxy-4-methyl-2,3,4a,5,6,10-hexahydro-1H-benzo[f]quinoline
SMILESCOC1=C2CCC3C(=C2C(OC)C=C1)CCCN3C
InChIInChI=1S/C16H23NO2/c1-17-10-4-5-11-13(17)7-6-12-14(18-2)8-9-15(19-3)16(11)12/h8-9,13,15H,4-7,10H2,1-3H3
InChIKeyKEPYJSAGRYDQFO-UHFFFAOYSA-N
XLogP2.66
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7,10-dimethoxy-4-methyl-2,3,4a,5,6,10-hexahydro-1H-benzo[f]quinoline?
The IUPAC name of 7,10-dimethoxy-4-methyl-2,3,4a,5,6,10-hexahydro-1H-benzo[f]quinoline (CID 70485568) is 7,10-dimethoxy-4-methyl-2,3,4a,5,6,10-hexahydro-1H-benzo[f]quinoline.
What is the SMILES notation for 7,10-dimethoxy-4-methyl-2,3,4a,5,6,10-hexahydro-1H-benzo[f]quinoline?
The canonical SMILES for 7,10-dimethoxy-4-methyl-2,3,4a,5,6,10-hexahydro-1H-benzo[f]quinoline is COC1=C2CCC3C(=C2C(OC)C=C1)CCCN3C.
What is the InChIKey of 7,10-dimethoxy-4-methyl-2,3,4a,5,6,10-hexahydro-1H-benzo[f]quinoline?
The InChIKey is KEPYJSAGRYDQFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-17-10-4-5-11-13(17)7-6-12-14(18-2)8-9-15(19-3)16(11)12/h8-9,13,15H,4-7,10H2,1-3H3.
What are the key properties of 7,10-dimethoxy-4-methyl-2,3,4a,5,6,10-hexahydro-1H-benzo[f]quinoline?
7,10-dimethoxy-4-methyl-2,3,4a,5,6,10-hexahydro-1H-benzo[f]quinoline has a molecular weight of 261.37 g/mol, XLogP of 2.66, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,10-dimethoxy-4-methyl-2,3,4a,5,6,10-hexahydro-1H-benzo[f]quinoline is sourced from PubChem (CID 70485568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).