[(6aR,10aR)-7-methyl-5-methylsulfanyl-6,6a,8,10a-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]methanol

C17H20N2OS — CID 10086186

IUPAC[(6aR,10aR)-7-methyl-5-methylsulfanyl-6,6a,8,10a-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]methanol
SMILESCSc1[nH]c2cccc3c2c1C[C@@H]1[C@@H]3C=C(CO)CN1C
InChIInChI=1S/C17H20N2OS/c1-19-8-10(9-20)6-12-11-4-3-5-14-16(11)13(7-15(12)19)17(18-14)21-2/h3-6,12,15,18,20H,7-9H2,1-2H3/t12-,15-/m1/s1
InChIKeyPRQOGIVBHQWVIM-IUODEOHRSA-N
MW300.43 g/mol
LogP2.76
Rot. Bonds2

About [(6aR,10aR)-7-methyl-5-methylsulfanyl-6,6a,8,10a-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]methanol

[(6aR,10aR)-7-methyl-5-methylsulfanyl-6,6a,8,10a-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]methanol (PubChem CID 10086186) has the molecular formula C17H20N2OS and a molecular weight of 300.43 g/mol. Its IUPAC name is [(6aR,10aR)-7-methyl-5-methylsulfanyl-6,6a,8,10a-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]methanol.

Molecular Properties

Compound Name[(6aR,10aR)-7-methyl-5-methylsulfanyl-6,6a,8,10a-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]methanol
PubChem CID10086186
Molecular FormulaC17H20N2OS
Molecular Weight300.43 g/mol
Exact Mass300.13
IUPAC Name[(6aR,10aR)-7-methyl-5-methylsulfanyl-6,6a,8,10a-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]methanol
SMILESCSc1[nH]c2cccc3c2c1C[C@@H]1[C@@H]3C=C(CO)CN1C
InChIInChI=1S/C17H20N2OS/c1-19-8-10(9-20)6-12-11-4-3-5-14-16(11)13(7-15(12)19)17(18-14)21-2/h3-6,12,15,18,20H,7-9H2,1-2H3/t12-,15-/m1/s1
InChIKeyPRQOGIVBHQWVIM-IUODEOHRSA-N
XLogP2.76
TPSA39.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(6aR,10aR)-7-methyl-5-methylsulfanyl-6,6a,8,10a-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]methanol?
The IUPAC name of [(6aR,10aR)-7-methyl-5-methylsulfanyl-6,6a,8,10a-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]methanol (CID 10086186) is [(6aR,10aR)-7-methyl-5-methylsulfanyl-6,6a,8,10a-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]methanol.
What is the SMILES notation for [(6aR,10aR)-7-methyl-5-methylsulfanyl-6,6a,8,10a-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]methanol?
The canonical SMILES for [(6aR,10aR)-7-methyl-5-methylsulfanyl-6,6a,8,10a-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]methanol is CSc1[nH]c2cccc3c2c1C[C@@H]1[C@@H]3C=C(CO)CN1C.
What is the InChIKey of [(6aR,10aR)-7-methyl-5-methylsulfanyl-6,6a,8,10a-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]methanol?
The InChIKey is PRQOGIVBHQWVIM-IUODEOHRSA-N. The full InChI is InChI=1S/C17H20N2OS/c1-19-8-10(9-20)6-12-11-4-3-5-14-16(11)13(7-15(12)19)17(18-14)21-2/h3-6,12,15,18,20H,7-9H2,1-2H3/t12-,15-/m1/s1.
What are the key properties of [(6aR,10aR)-7-methyl-5-methylsulfanyl-6,6a,8,10a-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]methanol?
[(6aR,10aR)-7-methyl-5-methylsulfanyl-6,6a,8,10a-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]methanol has a molecular weight of 300.43 g/mol, XLogP of 2.76, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(6aR,10aR)-7-methyl-5-methylsulfanyl-6,6a,8,10a-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]methanol is sourced from PubChem (CID 10086186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).