8-methoxy-2-methyl-2,3-dihydro-1H-pyrrolo[2,3-b]quinoline

C13H14N2O — CID 84621891

IUPAC8-methoxy-2-methyl-2,3-dihydro-1H-pyrrolo[2,3-b]quinoline
SMILESCOc1cccc2cc3c(nc12)NC(C)C3
InChIInChI=1S/C13H14N2O/c1-8-6-10-7-9-4-3-5-11(16-2)12(9)15-13(10)14-8/h3-5,7-8H,6H2,1-2H3,(H,14,15)
InChIKeyICNJCLKXPNIWMI-UHFFFAOYSA-N
MW214.27 g/mol
LogP2.60
Rot. Bonds1

About 8-methoxy-2-methyl-2,3-dihydro-1H-pyrrolo[2,3-b]quinoline

8-methoxy-2-methyl-2,3-dihydro-1H-pyrrolo[2,3-b]quinoline (PubChem CID 84621891) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is 8-methoxy-2-methyl-2,3-dihydro-1H-pyrrolo[2,3-b]quinoline.

Molecular Properties

Compound Name8-methoxy-2-methyl-2,3-dihydro-1H-pyrrolo[2,3-b]quinoline
PubChem CID84621891
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name8-methoxy-2-methyl-2,3-dihydro-1H-pyrrolo[2,3-b]quinoline
SMILESCOc1cccc2cc3c(nc12)NC(C)C3
InChIInChI=1S/C13H14N2O/c1-8-6-10-7-9-4-3-5-11(16-2)12(9)15-13(10)14-8/h3-5,7-8H,6H2,1-2H3,(H,14,15)
InChIKeyICNJCLKXPNIWMI-UHFFFAOYSA-N
XLogP2.60
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-2-methyl-2,3-dihydro-1H-pyrrolo[2,3-b]quinoline?
The IUPAC name of 8-methoxy-2-methyl-2,3-dihydro-1H-pyrrolo[2,3-b]quinoline (CID 84621891) is 8-methoxy-2-methyl-2,3-dihydro-1H-pyrrolo[2,3-b]quinoline.
What is the SMILES notation for 8-methoxy-2-methyl-2,3-dihydro-1H-pyrrolo[2,3-b]quinoline?
The canonical SMILES for 8-methoxy-2-methyl-2,3-dihydro-1H-pyrrolo[2,3-b]quinoline is COc1cccc2cc3c(nc12)NC(C)C3.
What is the InChIKey of 8-methoxy-2-methyl-2,3-dihydro-1H-pyrrolo[2,3-b]quinoline?
The InChIKey is ICNJCLKXPNIWMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c1-8-6-10-7-9-4-3-5-11(16-2)12(9)15-13(10)14-8/h3-5,7-8H,6H2,1-2H3,(H,14,15).
What are the key properties of 8-methoxy-2-methyl-2,3-dihydro-1H-pyrrolo[2,3-b]quinoline?
8-methoxy-2-methyl-2,3-dihydro-1H-pyrrolo[2,3-b]quinoline has a molecular weight of 214.27 g/mol, XLogP of 2.60, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-2-methyl-2,3-dihydro-1H-pyrrolo[2,3-b]quinoline is sourced from PubChem (CID 84621891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).