3-ethoxy-2,3-dihydro-1H-pyrrolo[3,4-b]quinoline

C13H14N2O — CID 45094345

IUPAC3-ethoxy-2,3-dihydro-1H-pyrrolo[3,4-b]quinoline
SMILESCCOC1NCc2cc3ccccc3nc21
InChIInChI=1S/C13H14N2O/c1-2-16-13-12-10(8-14-13)7-9-5-3-4-6-11(9)15-12/h3-7,13-14H,2,8H2,1H3
InChIKeyUQHUVMFNAKLVGR-UHFFFAOYSA-N
MW214.27 g/mol
LogP2.37
Rot. Bonds2

About 3-ethoxy-2,3-dihydro-1H-pyrrolo[3,4-b]quinoline

3-ethoxy-2,3-dihydro-1H-pyrrolo[3,4-b]quinoline (PubChem CID 45094345) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is 3-ethoxy-2,3-dihydro-1H-pyrrolo[3,4-b]quinoline.

Molecular Properties

Compound Name3-ethoxy-2,3-dihydro-1H-pyrrolo[3,4-b]quinoline
PubChem CID45094345
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name3-ethoxy-2,3-dihydro-1H-pyrrolo[3,4-b]quinoline
SMILESCCOC1NCc2cc3ccccc3nc21
InChIInChI=1S/C13H14N2O/c1-2-16-13-12-10(8-14-13)7-9-5-3-4-6-11(9)15-12/h3-7,13-14H,2,8H2,1H3
InChIKeyUQHUVMFNAKLVGR-UHFFFAOYSA-N
XLogP2.37
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-2,3-dihydro-1H-pyrrolo[3,4-b]quinoline?
The IUPAC name of 3-ethoxy-2,3-dihydro-1H-pyrrolo[3,4-b]quinoline (CID 45094345) is 3-ethoxy-2,3-dihydro-1H-pyrrolo[3,4-b]quinoline.
What is the SMILES notation for 3-ethoxy-2,3-dihydro-1H-pyrrolo[3,4-b]quinoline?
The canonical SMILES for 3-ethoxy-2,3-dihydro-1H-pyrrolo[3,4-b]quinoline is CCOC1NCc2cc3ccccc3nc21.
What is the InChIKey of 3-ethoxy-2,3-dihydro-1H-pyrrolo[3,4-b]quinoline?
The InChIKey is UQHUVMFNAKLVGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c1-2-16-13-12-10(8-14-13)7-9-5-3-4-6-11(9)15-12/h3-7,13-14H,2,8H2,1H3.
What are the key properties of 3-ethoxy-2,3-dihydro-1H-pyrrolo[3,4-b]quinoline?
3-ethoxy-2,3-dihydro-1H-pyrrolo[3,4-b]quinoline has a molecular weight of 214.27 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-2,3-dihydro-1H-pyrrolo[3,4-b]quinoline is sourced from PubChem (CID 45094345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).