8-methyl-2,3,6,7-tetrahydro-1H-pyrrolo[2,3-g]quinoline

C12H14N2 — CID 168983876

IUPAC8-methyl-2,3,6,7-tetrahydro-1H-pyrrolo[2,3-g]quinoline
SMILESCC1=c2cc3c(cc2=NCC1)CCN3
InChIInChI=1S/C12H14N2/c1-8-2-4-14-12-6-9-3-5-13-11(9)7-10(8)12/h6-7,13H,2-5H2,1H3
InChIKeyAVGPKBYGTNYXMV-UHFFFAOYSA-N
MW186.26 g/mol
LogP0.85
Rot. Bonds

About 8-methyl-2,3,6,7-tetrahydro-1H-pyrrolo[2,3-g]quinoline

8-methyl-2,3,6,7-tetrahydro-1H-pyrrolo[2,3-g]quinoline (PubChem CID 168983876) has the molecular formula C12H14N2 and a molecular weight of 186.26 g/mol. Its IUPAC name is 8-methyl-2,3,6,7-tetrahydro-1H-pyrrolo[2,3-g]quinoline.

Molecular Properties

Compound Name8-methyl-2,3,6,7-tetrahydro-1H-pyrrolo[2,3-g]quinoline
PubChem CID168983876
Molecular FormulaC12H14N2
Molecular Weight186.26 g/mol
Exact Mass186.12
IUPAC Name8-methyl-2,3,6,7-tetrahydro-1H-pyrrolo[2,3-g]quinoline
SMILESCC1=c2cc3c(cc2=NCC1)CCN3
InChIInChI=1S/C12H14N2/c1-8-2-4-14-12-6-9-3-5-13-11(9)7-10(8)12/h6-7,13H,2-5H2,1H3
InChIKeyAVGPKBYGTNYXMV-UHFFFAOYSA-N
XLogP0.85
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-2,3,6,7-tetrahydro-1H-pyrrolo[2,3-g]quinoline?
The IUPAC name of 8-methyl-2,3,6,7-tetrahydro-1H-pyrrolo[2,3-g]quinoline (CID 168983876) is 8-methyl-2,3,6,7-tetrahydro-1H-pyrrolo[2,3-g]quinoline.
What is the SMILES notation for 8-methyl-2,3,6,7-tetrahydro-1H-pyrrolo[2,3-g]quinoline?
The canonical SMILES for 8-methyl-2,3,6,7-tetrahydro-1H-pyrrolo[2,3-g]quinoline is CC1=c2cc3c(cc2=NCC1)CCN3.
What is the InChIKey of 8-methyl-2,3,6,7-tetrahydro-1H-pyrrolo[2,3-g]quinoline?
The InChIKey is AVGPKBYGTNYXMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2/c1-8-2-4-14-12-6-9-3-5-13-11(9)7-10(8)12/h6-7,13H,2-5H2,1H3.
What are the key properties of 8-methyl-2,3,6,7-tetrahydro-1H-pyrrolo[2,3-g]quinoline?
8-methyl-2,3,6,7-tetrahydro-1H-pyrrolo[2,3-g]quinoline has a molecular weight of 186.26 g/mol, XLogP of 0.85, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-2,3,6,7-tetrahydro-1H-pyrrolo[2,3-g]quinoline is sourced from PubChem (CID 168983876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).