1,4-dimethoxy-6,7,8,9,10,11-hexahydrocycloocta[b]quinoline

C17H21NO2 — CID 1473509

IUPAC1,4-dimethoxy-6,7,8,9,10,11-hexahydrocycloocta[b]quinoline
SMILESCOc1ccc(OC)c2nc3c(cc12)CCCCCC3
InChIInChI=1S/C17H21NO2/c1-19-15-9-10-16(20-2)17-13(15)11-12-7-5-3-4-6-8-14(12)18-17/h9-11H,3-8H2,1-2H3
InChIKeyODLCWJHFXQSRME-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.91
Rot. Bonds2

About 1,4-dimethoxy-6,7,8,9,10,11-hexahydrocycloocta[b]quinoline

1,4-dimethoxy-6,7,8,9,10,11-hexahydrocycloocta[b]quinoline (PubChem CID 1473509) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 1,4-dimethoxy-6,7,8,9,10,11-hexahydrocycloocta[b]quinoline.

Molecular Properties

Compound Name1,4-dimethoxy-6,7,8,9,10,11-hexahydrocycloocta[b]quinoline
PubChem CID1473509
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name1,4-dimethoxy-6,7,8,9,10,11-hexahydrocycloocta[b]quinoline
SMILESCOc1ccc(OC)c2nc3c(cc12)CCCCCC3
InChIInChI=1S/C17H21NO2/c1-19-15-9-10-16(20-2)17-13(15)11-12-7-5-3-4-6-8-14(12)18-17/h9-11H,3-8H2,1-2H3
InChIKeyODLCWJHFXQSRME-UHFFFAOYSA-N
XLogP3.91
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethoxy-6,7,8,9,10,11-hexahydrocycloocta[b]quinoline?
The IUPAC name of 1,4-dimethoxy-6,7,8,9,10,11-hexahydrocycloocta[b]quinoline (CID 1473509) is 1,4-dimethoxy-6,7,8,9,10,11-hexahydrocycloocta[b]quinoline.
What is the SMILES notation for 1,4-dimethoxy-6,7,8,9,10,11-hexahydrocycloocta[b]quinoline?
The canonical SMILES for 1,4-dimethoxy-6,7,8,9,10,11-hexahydrocycloocta[b]quinoline is COc1ccc(OC)c2nc3c(cc12)CCCCCC3.
What is the InChIKey of 1,4-dimethoxy-6,7,8,9,10,11-hexahydrocycloocta[b]quinoline?
The InChIKey is ODLCWJHFXQSRME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-19-15-9-10-16(20-2)17-13(15)11-12-7-5-3-4-6-8-14(12)18-17/h9-11H,3-8H2,1-2H3.
What are the key properties of 1,4-dimethoxy-6,7,8,9,10,11-hexahydrocycloocta[b]quinoline?
1,4-dimethoxy-6,7,8,9,10,11-hexahydrocycloocta[b]quinoline has a molecular weight of 271.36 g/mol, XLogP of 3.91, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethoxy-6,7,8,9,10,11-hexahydrocycloocta[b]quinoline is sourced from PubChem (CID 1473509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).