7-ethyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline

C16H18N2 — CID 166091851

IUPAC7-ethyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline
SMILESCCN1CCC=C2c3cccc4[nH]cc(c34)CC21
InChIInChI=1S/C16H18N2/c1-2-18-8-4-6-12-13-5-3-7-14-16(13)11(10-17-14)9-15(12)18/h3,5-7,10,15,17H,2,4,8-9H2,1H3
InChIKeyWVDRURQAGJTXRJ-UHFFFAOYSA-N
MW238.33 g/mol
LogP3.20
Rot. Bonds1

About 7-ethyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline

7-ethyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline (PubChem CID 166091851) has the molecular formula C16H18N2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 7-ethyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline.

Molecular Properties

Compound Name7-ethyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline
PubChem CID166091851
Molecular FormulaC16H18N2
Molecular Weight238.33 g/mol
Exact Mass238.15
IUPAC Name7-ethyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline
SMILESCCN1CCC=C2c3cccc4[nH]cc(c34)CC21
InChIInChI=1S/C16H18N2/c1-2-18-8-4-6-12-13-5-3-7-14-16(13)11(10-17-14)9-15(12)18/h3,5-7,10,15,17H,2,4,8-9H2,1H3
InChIKeyWVDRURQAGJTXRJ-UHFFFAOYSA-N
XLogP3.20
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-ethyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline?
The IUPAC name of 7-ethyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline (CID 166091851) is 7-ethyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline.
What is the SMILES notation for 7-ethyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline?
The canonical SMILES for 7-ethyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline is CCN1CCC=C2c3cccc4[nH]cc(c34)CC21.
What is the InChIKey of 7-ethyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline?
The InChIKey is WVDRURQAGJTXRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2/c1-2-18-8-4-6-12-13-5-3-7-14-16(13)11(10-17-14)9-15(12)18/h3,5-7,10,15,17H,2,4,8-9H2,1H3.
What are the key properties of 7-ethyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline?
7-ethyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline has a molecular weight of 238.33 g/mol, XLogP of 3.20, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline is sourced from PubChem (CID 166091851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).