(5aS,6aR,9R)-4,7,9-trimethyl-5,5a,6,6a,8,9-hexahydroindolo[4,3-fg]quinoline

C17H22N2 — CID 14107812

IUPAC(5aS,6aR,9R)-4,7,9-trimethyl-5,5a,6,6a,8,9-hexahydroindolo[4,3-fg]quinoline
SMILESC[C@@H]1C=C2c3cccc4c3[C@H](C[C@H]2N(C)C1)CN4C
InChIInChI=1S/C17H22N2/c1-11-7-14-13-5-4-6-15-17(13)12(10-19(15)3)8-16(14)18(2)9-11/h4-7,11-12,16H,8-10H2,1-3H3/t11-,12-,16-/m1/s1
InChIKeyWPQDYRHAUJABQY-XHBSWPGZSA-N
MW254.38 g/mol
LogP2.96
Rot. Bonds

About (5aS,6aR,9R)-4,7,9-trimethyl-5,5a,6,6a,8,9-hexahydroindolo[4,3-fg]quinoline

(5aS,6aR,9R)-4,7,9-trimethyl-5,5a,6,6a,8,9-hexahydroindolo[4,3-fg]quinoline (PubChem CID 14107812) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is (5aS,6aR,9R)-4,7,9-trimethyl-5,5a,6,6a,8,9-hexahydroindolo[4,3-fg]quinoline.

Molecular Properties

Compound Name(5aS,6aR,9R)-4,7,9-trimethyl-5,5a,6,6a,8,9-hexahydroindolo[4,3-fg]quinoline
PubChem CID14107812
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC Name(5aS,6aR,9R)-4,7,9-trimethyl-5,5a,6,6a,8,9-hexahydroindolo[4,3-fg]quinoline
SMILESC[C@@H]1C=C2c3cccc4c3[C@H](C[C@H]2N(C)C1)CN4C
InChIInChI=1S/C17H22N2/c1-11-7-14-13-5-4-6-15-17(13)12(10-19(15)3)8-16(14)18(2)9-11/h4-7,11-12,16H,8-10H2,1-3H3/t11-,12-,16-/m1/s1
InChIKeyWPQDYRHAUJABQY-XHBSWPGZSA-N
XLogP2.96
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5aS,6aR,9R)-4,7,9-trimethyl-5,5a,6,6a,8,9-hexahydroindolo[4,3-fg]quinoline?
The IUPAC name of (5aS,6aR,9R)-4,7,9-trimethyl-5,5a,6,6a,8,9-hexahydroindolo[4,3-fg]quinoline (CID 14107812) is (5aS,6aR,9R)-4,7,9-trimethyl-5,5a,6,6a,8,9-hexahydroindolo[4,3-fg]quinoline.
What is the SMILES notation for (5aS,6aR,9R)-4,7,9-trimethyl-5,5a,6,6a,8,9-hexahydroindolo[4,3-fg]quinoline?
The canonical SMILES for (5aS,6aR,9R)-4,7,9-trimethyl-5,5a,6,6a,8,9-hexahydroindolo[4,3-fg]quinoline is C[C@@H]1C=C2c3cccc4c3[C@H](C[C@H]2N(C)C1)CN4C.
What is the InChIKey of (5aS,6aR,9R)-4,7,9-trimethyl-5,5a,6,6a,8,9-hexahydroindolo[4,3-fg]quinoline?
The InChIKey is WPQDYRHAUJABQY-XHBSWPGZSA-N. The full InChI is InChI=1S/C17H22N2/c1-11-7-14-13-5-4-6-15-17(13)12(10-19(15)3)8-16(14)18(2)9-11/h4-7,11-12,16H,8-10H2,1-3H3/t11-,12-,16-/m1/s1.
What are the key properties of (5aS,6aR,9R)-4,7,9-trimethyl-5,5a,6,6a,8,9-hexahydroindolo[4,3-fg]quinoline?
(5aS,6aR,9R)-4,7,9-trimethyl-5,5a,6,6a,8,9-hexahydroindolo[4,3-fg]quinoline has a molecular weight of 254.38 g/mol, XLogP of 2.96, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5aS,6aR,9R)-4,7,9-trimethyl-5,5a,6,6a,8,9-hexahydroindolo[4,3-fg]quinoline is sourced from PubChem (CID 14107812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).