4-propyl-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-8-ol

C16H23NO — CID 14039992

IUPAC4-propyl-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-8-ol
SMILESCCCN1CCCC2c3ccc(O)cc3CCC21
InChIInChI=1S/C16H23NO/c1-2-9-17-10-3-4-15-14-7-6-13(18)11-12(14)5-8-16(15)17/h6-7,11,15-16,18H,2-5,8-10H2,1H3
InChIKeyBGWNOOWFGJBORE-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.30
Rot. Bonds2

About 4-propyl-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-8-ol

4-propyl-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-8-ol (PubChem CID 14039992) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 4-propyl-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-8-ol.

Molecular Properties

Compound Name4-propyl-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-8-ol
PubChem CID14039992
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name4-propyl-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-8-ol
SMILESCCCN1CCCC2c3ccc(O)cc3CCC21
InChIInChI=1S/C16H23NO/c1-2-9-17-10-3-4-15-14-7-6-13(18)11-12(14)5-8-16(15)17/h6-7,11,15-16,18H,2-5,8-10H2,1H3
InChIKeyBGWNOOWFGJBORE-UHFFFAOYSA-N
XLogP3.30
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-propyl-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-8-ol?
The IUPAC name of 4-propyl-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-8-ol (CID 14039992) is 4-propyl-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-8-ol.
What is the SMILES notation for 4-propyl-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-8-ol?
The canonical SMILES for 4-propyl-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-8-ol is CCCN1CCCC2c3ccc(O)cc3CCC21.
What is the InChIKey of 4-propyl-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-8-ol?
The InChIKey is BGWNOOWFGJBORE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-2-9-17-10-3-4-15-14-7-6-13(18)11-12(14)5-8-16(15)17/h6-7,11,15-16,18H,2-5,8-10H2,1H3.
What are the key properties of 4-propyl-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-8-ol?
4-propyl-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-8-ol has a molecular weight of 245.37 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propyl-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-8-ol is sourced from PubChem (CID 14039992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).