(6aR,9R,10aR)-7-methyl-9-(tetrazol-1-ylmethyl)-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline

C17H20N6 — CID 10040940

IUPAC(6aR,9R,10aR)-7-methyl-9-(tetrazol-1-ylmethyl)-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline
SMILESCN1C[C@H](Cn2cnnn2)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21
InChIInChI=1S/C17H20N6/c1-22-8-11(9-23-10-19-20-21-23)5-14-13-3-2-4-15-17(13)12(7-18-15)6-16(14)22/h2-4,7,10-11,14,16,18H,5-6,8-9H2,1H3/t11-,14-,16-/m1/s1
InChIKeyCCFKXFFGNCSEIG-DJSGYFEHSA-N
MW308.39 g/mol
LogP1.81
Rot. Bonds2

About (6aR,9R,10aR)-7-methyl-9-(tetrazol-1-ylmethyl)-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline

(6aR,9R,10aR)-7-methyl-9-(tetrazol-1-ylmethyl)-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline (PubChem CID 10040940) has the molecular formula C17H20N6 and a molecular weight of 308.39 g/mol. Its IUPAC name is (6aR,9R,10aR)-7-methyl-9-(tetrazol-1-ylmethyl)-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline.

Molecular Properties

Compound Name(6aR,9R,10aR)-7-methyl-9-(tetrazol-1-ylmethyl)-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline
PubChem CID10040940
Molecular FormulaC17H20N6
Molecular Weight308.39 g/mol
Exact Mass308.17
IUPAC Name(6aR,9R,10aR)-7-methyl-9-(tetrazol-1-ylmethyl)-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline
SMILESCN1C[C@H](Cn2cnnn2)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21
InChIInChI=1S/C17H20N6/c1-22-8-11(9-23-10-19-20-21-23)5-14-13-3-2-4-15-17(13)12(7-18-15)6-16(14)22/h2-4,7,10-11,14,16,18H,5-6,8-9H2,1H3/t11-,14-,16-/m1/s1
InChIKeyCCFKXFFGNCSEIG-DJSGYFEHSA-N
XLogP1.81
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (6aR,9R,10aR)-7-methyl-9-(tetrazol-1-ylmethyl)-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline?
The IUPAC name of (6aR,9R,10aR)-7-methyl-9-(tetrazol-1-ylmethyl)-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline (CID 10040940) is (6aR,9R,10aR)-7-methyl-9-(tetrazol-1-ylmethyl)-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline.
What is the SMILES notation for (6aR,9R,10aR)-7-methyl-9-(tetrazol-1-ylmethyl)-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline?
The canonical SMILES for (6aR,9R,10aR)-7-methyl-9-(tetrazol-1-ylmethyl)-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline is CN1C[C@H](Cn2cnnn2)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21.
What is the InChIKey of (6aR,9R,10aR)-7-methyl-9-(tetrazol-1-ylmethyl)-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline?
The InChIKey is CCFKXFFGNCSEIG-DJSGYFEHSA-N. The full InChI is InChI=1S/C17H20N6/c1-22-8-11(9-23-10-19-20-21-23)5-14-13-3-2-4-15-17(13)12(7-18-15)6-16(14)22/h2-4,7,10-11,14,16,18H,5-6,8-9H2,1H3/t11-,14-,16-/m1/s1.
What are the key properties of (6aR,9R,10aR)-7-methyl-9-(tetrazol-1-ylmethyl)-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline?
(6aR,9R,10aR)-7-methyl-9-(tetrazol-1-ylmethyl)-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline has a molecular weight of 308.39 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6aR,9R,10aR)-7-methyl-9-(tetrazol-1-ylmethyl)-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline is sourced from PubChem (CID 10040940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).