(6aR,9R)-7,9-dimethyl-5-propylsulfanyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline

C19H26N2S — CID 54060273

IUPAC(6aR,9R)-7,9-dimethyl-5-propylsulfanyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline
SMILESCCCSc1[nH]c2cccc3c2c1C[C@@H]1C3C[C@@H](C)CN1C
InChIInChI=1S/C19H26N2S/c1-4-8-22-19-15-10-17-14(9-12(2)11-21(17)3)13-6-5-7-16(20-19)18(13)15/h5-7,12,14,17,20H,4,8-11H2,1-3H3/t12-,14?,17-/m1/s1
InChIKeyLZEYRHGOJCJFBD-ZYFOBHMOSA-N
MW314.50 g/mol
LogP4.65
Rot. Bonds3

About (6aR,9R)-7,9-dimethyl-5-propylsulfanyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline

(6aR,9R)-7,9-dimethyl-5-propylsulfanyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline (PubChem CID 54060273) has the molecular formula C19H26N2S and a molecular weight of 314.50 g/mol. Its IUPAC name is (6aR,9R)-7,9-dimethyl-5-propylsulfanyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline.

Molecular Properties

Compound Name(6aR,9R)-7,9-dimethyl-5-propylsulfanyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline
PubChem CID54060273
Molecular FormulaC19H26N2S
Molecular Weight314.50 g/mol
Exact Mass314.18
IUPAC Name(6aR,9R)-7,9-dimethyl-5-propylsulfanyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline
SMILESCCCSc1[nH]c2cccc3c2c1C[C@@H]1C3C[C@@H](C)CN1C
InChIInChI=1S/C19H26N2S/c1-4-8-22-19-15-10-17-14(9-12(2)11-21(17)3)13-6-5-7-16(20-19)18(13)15/h5-7,12,14,17,20H,4,8-11H2,1-3H3/t12-,14?,17-/m1/s1
InChIKeyLZEYRHGOJCJFBD-ZYFOBHMOSA-N
XLogP4.65
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.50
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (6aR,9R)-7,9-dimethyl-5-propylsulfanyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(6aR,9R)-7-methyl-9-(methylsulfanylmethyl)-5-propylsulfanyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline
CID 70369595
(6aR,10aR)-7,9-dimethyl-5-propylsulfanyl-6,6a,8,10a-tetrahydro-4H-indolo[4,3-fg]quinoline
CID 10448252
(6aR,9S,10aR)-5,7-dimethyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-amine
CID 14277600
(6aR)-9-(bromomethyl)-5-chloro-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline
CID 54476679
2-[(6aR,9R)-5-chloro-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]acetonitrile
CID 22812435
(6aR,10aR)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-5,9-dicarboxylic acid
CID 70526136
(6aR,10aR)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-5,9-dicarboxamide
CID 70536326
N-(5,7-dimethyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl)-2-ethyl-2-methylbutanamide
CID 14369085
[(6aR,9R)-7-methyl-5-methylsulfanyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methyl azepane-2-carboxylate
CID 57023993
3-[(9R)-5-chloro-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]-1,1-diethylurea
CID 59144707
3-(5-bromo-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl)-1,1-diethylurea
CID 13059859
[(6aS,10aS)-5-chloro-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methyl methanesulfonate
CID 88812486

Frequently Asked Questions

What is the IUPAC name of (6aR,9R)-7,9-dimethyl-5-propylsulfanyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline?
The IUPAC name of (6aR,9R)-7,9-dimethyl-5-propylsulfanyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline (CID 54060273) is (6aR,9R)-7,9-dimethyl-5-propylsulfanyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline.
What is the SMILES notation for (6aR,9R)-7,9-dimethyl-5-propylsulfanyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline?
The canonical SMILES for (6aR,9R)-7,9-dimethyl-5-propylsulfanyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline is CCCSc1[nH]c2cccc3c2c1C[C@@H]1C3C[C@@H](C)CN1C.
What is the InChIKey of (6aR,9R)-7,9-dimethyl-5-propylsulfanyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline?
The InChIKey is LZEYRHGOJCJFBD-ZYFOBHMOSA-N. The full InChI is InChI=1S/C19H26N2S/c1-4-8-22-19-15-10-17-14(9-12(2)11-21(17)3)13-6-5-7-16(20-19)18(13)15/h5-7,12,14,17,20H,4,8-11H2,1-3H3/t12-,14?,17-/m1/s1.
What are the key properties of (6aR,9R)-7,9-dimethyl-5-propylsulfanyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline?
(6aR,9R)-7,9-dimethyl-5-propylsulfanyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline has a molecular weight of 314.50 g/mol, XLogP of 4.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6aR,9R)-7,9-dimethyl-5-propylsulfanyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline is sourced from PubChem (CID 54060273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).