(5aS,9aS)-6-propyl-1,5,5a,7,8,9,9a,10-octahydropyrido[2,3-g]quinolin-2-one

C15H22N2O — CID 18640067

IUPAC(5aS,9aS)-6-propyl-1,5,5a,7,8,9,9a,10-octahydropyrido[2,3-g]quinolin-2-one
SMILESCCCN1CCC[C@H]2Cc3[nH]c(=O)ccc3C[C@@H]21
InChIInChI=1S/C15H22N2O/c1-2-7-17-8-3-4-12-9-13-11(10-14(12)17)5-6-15(18)16-13/h5-6,12,14H,2-4,7-10H2,1H3,(H,16,18)/t12-,14-/m0/s1
InChIKeyDMTZBGHLRPQFIW-JSGCOSHPSA-N
MW246.35 g/mol
LogP1.96
Rot. Bonds2

About (5aS,9aS)-6-propyl-1,5,5a,7,8,9,9a,10-octahydropyrido[2,3-g]quinolin-2-one

(5aS,9aS)-6-propyl-1,5,5a,7,8,9,9a,10-octahydropyrido[2,3-g]quinolin-2-one (PubChem CID 18640067) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is (5aS,9aS)-6-propyl-1,5,5a,7,8,9,9a,10-octahydropyrido[2,3-g]quinolin-2-one.

Molecular Properties

Compound Name(5aS,9aS)-6-propyl-1,5,5a,7,8,9,9a,10-octahydropyrido[2,3-g]quinolin-2-one
PubChem CID18640067
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name(5aS,9aS)-6-propyl-1,5,5a,7,8,9,9a,10-octahydropyrido[2,3-g]quinolin-2-one
SMILESCCCN1CCC[C@H]2Cc3[nH]c(=O)ccc3C[C@@H]21
InChIInChI=1S/C15H22N2O/c1-2-7-17-8-3-4-12-9-13-11(10-14(12)17)5-6-15(18)16-13/h5-6,12,14H,2-4,7-10H2,1H3,(H,16,18)/t12-,14-/m0/s1
InChIKeyDMTZBGHLRPQFIW-JSGCOSHPSA-N
XLogP1.96
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (5aS,9aS)-6-propyl-1,5,5a,7,8,9,9a,10-octahydropyrido[2,3-g]quinolin-2-one with MolForge

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Related Compounds

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CID 854026
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(+)-Huperzine A
CID 4369233
(1S,9R,13E)-1-amino-13-ethylidene-11-methyl-6-azatricyclo[7.3.1.02,7]trideca-2(7),3,10-trien-5-one
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N-Demethylhuperzinine
CID 10264399
(-)-Selagine
CID 449069
(-)-Huperzine B
CID 23645296
(1R,9S,10R)-16-methyl-6,14-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,16-trien-5-one
CID 159280
Huperzinine
CID 195296
Selagine
CID 1633595

Frequently Asked Questions

What is the IUPAC name of (5aS,9aS)-6-propyl-1,5,5a,7,8,9,9a,10-octahydropyrido[2,3-g]quinolin-2-one?
The IUPAC name of (5aS,9aS)-6-propyl-1,5,5a,7,8,9,9a,10-octahydropyrido[2,3-g]quinolin-2-one (CID 18640067) is (5aS,9aS)-6-propyl-1,5,5a,7,8,9,9a,10-octahydropyrido[2,3-g]quinolin-2-one.
What is the SMILES notation for (5aS,9aS)-6-propyl-1,5,5a,7,8,9,9a,10-octahydropyrido[2,3-g]quinolin-2-one?
The canonical SMILES for (5aS,9aS)-6-propyl-1,5,5a,7,8,9,9a,10-octahydropyrido[2,3-g]quinolin-2-one is CCCN1CCC[C@H]2Cc3[nH]c(=O)ccc3C[C@@H]21.
What is the InChIKey of (5aS,9aS)-6-propyl-1,5,5a,7,8,9,9a,10-octahydropyrido[2,3-g]quinolin-2-one?
The InChIKey is DMTZBGHLRPQFIW-JSGCOSHPSA-N. The full InChI is InChI=1S/C15H22N2O/c1-2-7-17-8-3-4-12-9-13-11(10-14(12)17)5-6-15(18)16-13/h5-6,12,14H,2-4,7-10H2,1H3,(H,16,18)/t12-,14-/m0/s1.
What are the key properties of (5aS,9aS)-6-propyl-1,5,5a,7,8,9,9a,10-octahydropyrido[2,3-g]quinolin-2-one?
(5aS,9aS)-6-propyl-1,5,5a,7,8,9,9a,10-octahydropyrido[2,3-g]quinolin-2-one has a molecular weight of 246.35 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5aS,9aS)-6-propyl-1,5,5a,7,8,9,9a,10-octahydropyrido[2,3-g]quinolin-2-one is sourced from PubChem (CID 18640067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).