3-methoxy-6,7,8,9,10,11-hexahydro-5H-cycloocta[b]quinolin-12-one

C16H19NO2 — CID 53362916

IUPAC3-methoxy-6,7,8,9,10,11-hexahydro-5H-cycloocta[b]quinolin-12-one
SMILESCOc1ccc2c(=O)c3c([nH]c2c1)CCCCCC3
InChIInChI=1S/C16H19NO2/c1-19-11-8-9-13-15(10-11)17-14-7-5-3-2-4-6-12(14)16(13)18/h8-10H,2-7H2,1H3,(H,17,18)
InChIKeyYXOCXGPUHWAIKT-UHFFFAOYSA-N
MW257.33 g/mol
LogP3.20
Rot. Bonds1

About 3-methoxy-6,7,8,9,10,11-hexahydro-5H-cycloocta[b]quinolin-12-one

3-methoxy-6,7,8,9,10,11-hexahydro-5H-cycloocta[b]quinolin-12-one (PubChem CID 53362916) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is 3-methoxy-6,7,8,9,10,11-hexahydro-5H-cycloocta[b]quinolin-12-one.

Molecular Properties

Compound Name3-methoxy-6,7,8,9,10,11-hexahydro-5H-cycloocta[b]quinolin-12-one
PubChem CID53362916
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name3-methoxy-6,7,8,9,10,11-hexahydro-5H-cycloocta[b]quinolin-12-one
SMILESCOc1ccc2c(=O)c3c([nH]c2c1)CCCCCC3
InChIInChI=1S/C16H19NO2/c1-19-11-8-9-13-15(10-11)17-14-7-5-3-2-4-6-12(14)16(13)18/h8-10H,2-7H2,1H3,(H,17,18)
InChIKeyYXOCXGPUHWAIKT-UHFFFAOYSA-N
XLogP3.20
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-methoxy-1,2,3,5-tetrahydrocyclopenta[c]quinolin-4-one
CID 22462438
2-ethyl-5,6,7,8,9,10-hexahydrocyclohepta[b]quinolin-11-one
CID 63351442
5,6-dimethoxy-2,3,4,10-tetrahydro-1H-acridin-9-one
CID 53362374
7-methoxy-2,3,4,9-tetrahydro-1H-carbazole-3-carbaldehyde
CID 87746150
6,7-dimethoxy-2,3,4,9-tetrahydro-1H-carbazole
CID 14265020
7-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxylic acid
CID 175059402
2-methoxy-7,8,9,10-tetrahydro-5H-cyclohepta[b]indol-6-one
CID 12673419
7-(4-chlorophenoxy)-1,2,3,4-tetrahydrocyclopenta[b]quinolin-9-one
CID 172712083
7-methoxy-1H-quinazoline-2,4-dione
CID 19604241
6-methoxy-7-methyl-2,3,4,9-tetrahydro-1H-carbazole
CID 102527727
3,10-bis(4-methoxyphenoxy)-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione
CID 139788379
4-hydroxy-3,7-dimethoxy-1H-quinolin-2-one
CID 139718554

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-6,7,8,9,10,11-hexahydro-5H-cycloocta[b]quinolin-12-one?
The IUPAC name of 3-methoxy-6,7,8,9,10,11-hexahydro-5H-cycloocta[b]quinolin-12-one (CID 53362916) is 3-methoxy-6,7,8,9,10,11-hexahydro-5H-cycloocta[b]quinolin-12-one.
What is the SMILES notation for 3-methoxy-6,7,8,9,10,11-hexahydro-5H-cycloocta[b]quinolin-12-one?
The canonical SMILES for 3-methoxy-6,7,8,9,10,11-hexahydro-5H-cycloocta[b]quinolin-12-one is COc1ccc2c(=O)c3c([nH]c2c1)CCCCCC3.
What is the InChIKey of 3-methoxy-6,7,8,9,10,11-hexahydro-5H-cycloocta[b]quinolin-12-one?
The InChIKey is YXOCXGPUHWAIKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-19-11-8-9-13-15(10-11)17-14-7-5-3-2-4-6-12(14)16(13)18/h8-10H,2-7H2,1H3,(H,17,18).
What are the key properties of 3-methoxy-6,7,8,9,10,11-hexahydro-5H-cycloocta[b]quinolin-12-one?
3-methoxy-6,7,8,9,10,11-hexahydro-5H-cycloocta[b]quinolin-12-one has a molecular weight of 257.33 g/mol, XLogP of 3.20, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-6,7,8,9,10,11-hexahydro-5H-cycloocta[b]quinolin-12-one is sourced from PubChem (CID 53362916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).