(4aR,10bR)-4-propyl-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-9-ol

C16H23NO — CID 14039979

IUPAC(4aR,10bR)-4-propyl-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-9-ol
SMILESCCCN1CCC[C@@H]2c3cc(O)ccc3CC[C@H]21
InChIInChI=1S/C16H23NO/c1-2-9-17-10-3-4-14-15-11-13(18)7-5-12(15)6-8-16(14)17/h5,7,11,14,16,18H,2-4,6,8-10H2,1H3/t14-,16-/m1/s1
InChIKeyLGRLJXCJYMYBLM-GDBMZVCRSA-N
MW245.37 g/mol
LogP3.30
Rot. Bonds2

About (4aR,10bR)-4-propyl-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-9-ol

(4aR,10bR)-4-propyl-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-9-ol (PubChem CID 14039979) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is (4aR,10bR)-4-propyl-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-9-ol.

Molecular Properties

Compound Name(4aR,10bR)-4-propyl-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-9-ol
PubChem CID14039979
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name(4aR,10bR)-4-propyl-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-9-ol
SMILESCCCN1CCC[C@@H]2c3cc(O)ccc3CC[C@H]21
InChIInChI=1S/C16H23NO/c1-2-9-17-10-3-4-14-15-11-13(18)7-5-12(15)6-8-16(14)17/h5,7,11,14,16,18H,2-4,6,8-10H2,1H3/t14-,16-/m1/s1
InChIKeyLGRLJXCJYMYBLM-GDBMZVCRSA-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

Analyze (4aR,10bR)-4-propyl-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-9-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4aR,10bR)-4-propyl-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-9-ol?
The IUPAC name of (4aR,10bR)-4-propyl-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-9-ol (CID 14039979) is (4aR,10bR)-4-propyl-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-9-ol.
What is the SMILES notation for (4aR,10bR)-4-propyl-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-9-ol?
The canonical SMILES for (4aR,10bR)-4-propyl-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-9-ol is CCCN1CCC[C@@H]2c3cc(O)ccc3CC[C@H]21.
What is the InChIKey of (4aR,10bR)-4-propyl-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-9-ol?
The InChIKey is LGRLJXCJYMYBLM-GDBMZVCRSA-N. The full InChI is InChI=1S/C16H23NO/c1-2-9-17-10-3-4-14-15-11-13(18)7-5-12(15)6-8-16(14)17/h5,7,11,14,16,18H,2-4,6,8-10H2,1H3/t14-,16-/m1/s1.
What are the key properties of (4aR,10bR)-4-propyl-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-9-ol?
(4aR,10bR)-4-propyl-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-9-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 (4aR,10bR)-4-propyl-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-9-ol is sourced from PubChem (CID 14039979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).