(5aS,6aR,9R)-9-methyl-7-propyl-5,5a,6,6a,8,9-hexahydro-4H-indolo[4,3-fg]quinoline

C18H24N2 — CID 14107810

IUPAC(5aS,6aR,9R)-9-methyl-7-propyl-5,5a,6,6a,8,9-hexahydro-4H-indolo[4,3-fg]quinoline
SMILESCCCN1C[C@H](C)C=C2c3cccc4c3[C@@H](CN4)C[C@H]21
InChIInChI=1S/C18H24N2/c1-3-7-20-11-12(2)8-15-14-5-4-6-16-18(14)13(10-19-16)9-17(15)20/h4-6,8,12-13,17,19H,3,7,9-11H2,1-2H3/t12-,13-,17-/m1/s1
InChIKeyPCXDSVMGNSSSQR-PBFPGSCMSA-N
MW268.40 g/mol
LogP3.71
Rot. Bonds2

About (5aS,6aR,9R)-9-methyl-7-propyl-5,5a,6,6a,8,9-hexahydro-4H-indolo[4,3-fg]quinoline

(5aS,6aR,9R)-9-methyl-7-propyl-5,5a,6,6a,8,9-hexahydro-4H-indolo[4,3-fg]quinoline (PubChem CID 14107810) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is (5aS,6aR,9R)-9-methyl-7-propyl-5,5a,6,6a,8,9-hexahydro-4H-indolo[4,3-fg]quinoline.

Molecular Properties

Compound Name(5aS,6aR,9R)-9-methyl-7-propyl-5,5a,6,6a,8,9-hexahydro-4H-indolo[4,3-fg]quinoline
PubChem CID14107810
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC Name(5aS,6aR,9R)-9-methyl-7-propyl-5,5a,6,6a,8,9-hexahydro-4H-indolo[4,3-fg]quinoline
SMILESCCCN1C[C@H](C)C=C2c3cccc4c3[C@@H](CN4)C[C@H]21
InChIInChI=1S/C18H24N2/c1-3-7-20-11-12(2)8-15-14-5-4-6-16-18(14)13(10-19-16)9-17(15)20/h4-6,8,12-13,17,19H,3,7,9-11H2,1-2H3/t12-,13-,17-/m1/s1
InChIKeyPCXDSVMGNSSSQR-PBFPGSCMSA-N
XLogP3.71
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5aS,6aR,9R)-9-methyl-7-propyl-5,5a,6,6a,8,9-hexahydro-4H-indolo[4,3-fg]quinoline?
The IUPAC name of (5aS,6aR,9R)-9-methyl-7-propyl-5,5a,6,6a,8,9-hexahydro-4H-indolo[4,3-fg]quinoline (CID 14107810) is (5aS,6aR,9R)-9-methyl-7-propyl-5,5a,6,6a,8,9-hexahydro-4H-indolo[4,3-fg]quinoline.
What is the SMILES notation for (5aS,6aR,9R)-9-methyl-7-propyl-5,5a,6,6a,8,9-hexahydro-4H-indolo[4,3-fg]quinoline?
The canonical SMILES for (5aS,6aR,9R)-9-methyl-7-propyl-5,5a,6,6a,8,9-hexahydro-4H-indolo[4,3-fg]quinoline is CCCN1C[C@H](C)C=C2c3cccc4c3[C@@H](CN4)C[C@H]21.
What is the InChIKey of (5aS,6aR,9R)-9-methyl-7-propyl-5,5a,6,6a,8,9-hexahydro-4H-indolo[4,3-fg]quinoline?
The InChIKey is PCXDSVMGNSSSQR-PBFPGSCMSA-N. The full InChI is InChI=1S/C18H24N2/c1-3-7-20-11-12(2)8-15-14-5-4-6-16-18(14)13(10-19-16)9-17(15)20/h4-6,8,12-13,17,19H,3,7,9-11H2,1-2H3/t12-,13-,17-/m1/s1.
What are the key properties of (5aS,6aR,9R)-9-methyl-7-propyl-5,5a,6,6a,8,9-hexahydro-4H-indolo[4,3-fg]quinoline?
(5aS,6aR,9R)-9-methyl-7-propyl-5,5a,6,6a,8,9-hexahydro-4H-indolo[4,3-fg]quinoline has a molecular weight of 268.40 g/mol, XLogP of 3.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5aS,6aR,9R)-9-methyl-7-propyl-5,5a,6,6a,8,9-hexahydro-4H-indolo[4,3-fg]quinoline is sourced from PubChem (CID 14107810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).