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

C17H25NO — CID 14488744

IUPAC(2R,4aR,10bR)-2-methyl-4-propyl-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-9-ol
SMILESCCCN1C[C@H](C)C[C@@H]2c3cc(O)ccc3CC[C@H]21
InChIInChI=1S/C17H25NO/c1-3-8-18-11-12(2)9-16-15-10-14(19)6-4-13(15)5-7-17(16)18/h4,6,10,12,16-17,19H,3,5,7-9,11H2,1-2H3/t12-,16-,17-/m1/s1
InChIKeyUNYMVKLXEJXUAW-CSMYWGQOSA-N
MW259.39 g/mol
LogP3.54
Rot. Bonds2

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

(2R,4aR,10bR)-2-methyl-4-propyl-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-9-ol (PubChem CID 14488744) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is (2R,4aR,10bR)-2-methyl-4-propyl-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-9-ol.

Molecular Properties

Compound Name(2R,4aR,10bR)-2-methyl-4-propyl-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-9-ol
PubChem CID14488744
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name(2R,4aR,10bR)-2-methyl-4-propyl-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-9-ol
SMILESCCCN1C[C@H](C)C[C@@H]2c3cc(O)ccc3CC[C@H]21
InChIInChI=1S/C17H25NO/c1-3-8-18-11-12(2)9-16-15-10-14(19)6-4-13(15)5-7-17(16)18/h4,6,10,12,16-17,19H,3,5,7-9,11H2,1-2H3/t12-,16-,17-/m1/s1
InChIKeyUNYMVKLXEJXUAW-CSMYWGQOSA-N
XLogP3.54
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,4aR,10bR)-2-methyl-4-propyl-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-9-ol?
The IUPAC name of (2R,4aR,10bR)-2-methyl-4-propyl-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-9-ol (CID 14488744) is (2R,4aR,10bR)-2-methyl-4-propyl-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-9-ol.
What is the SMILES notation for (2R,4aR,10bR)-2-methyl-4-propyl-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-9-ol?
The canonical SMILES for (2R,4aR,10bR)-2-methyl-4-propyl-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-9-ol is CCCN1C[C@H](C)C[C@@H]2c3cc(O)ccc3CC[C@H]21.
What is the InChIKey of (2R,4aR,10bR)-2-methyl-4-propyl-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-9-ol?
The InChIKey is UNYMVKLXEJXUAW-CSMYWGQOSA-N. The full InChI is InChI=1S/C17H25NO/c1-3-8-18-11-12(2)9-16-15-10-14(19)6-4-13(15)5-7-17(16)18/h4,6,10,12,16-17,19H,3,5,7-9,11H2,1-2H3/t12-,16-,17-/m1/s1.
What are the key properties of (2R,4aR,10bR)-2-methyl-4-propyl-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-9-ol?
(2R,4aR,10bR)-2-methyl-4-propyl-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-9-ol has a molecular weight of 259.39 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4aR,10bR)-2-methyl-4-propyl-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-9-ol is sourced from PubChem (CID 14488744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).