2-(2,3-dihydro-1H-pyrrolo[3,4-c]quinolin-1-yl)propan-2-yl acetate

C16H18N2O2 — CID 156634569

IUPAC2-(2,3-dihydro-1H-pyrrolo[3,4-c]quinolin-1-yl)propan-2-yl acetate
SMILESCC(=O)OC(C)(C)C1NCc2cnc3ccccc3c21
InChIInChI=1S/C16H18N2O2/c1-10(19)20-16(2,3)15-14-11(9-18-15)8-17-13-7-5-4-6-12(13)14/h4-8,15,18H,9H2,1-3H3
InChIKeyWNONTVKJQJSDAW-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.72
Rot. Bonds2

About 2-(2,3-dihydro-1H-pyrrolo[3,4-c]quinolin-1-yl)propan-2-yl acetate

2-(2,3-dihydro-1H-pyrrolo[3,4-c]quinolin-1-yl)propan-2-yl acetate (PubChem CID 156634569) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-pyrrolo[3,4-c]quinolin-1-yl)propan-2-yl acetate.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-pyrrolo[3,4-c]quinolin-1-yl)propan-2-yl acetate
PubChem CID156634569
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name2-(2,3-dihydro-1H-pyrrolo[3,4-c]quinolin-1-yl)propan-2-yl acetate
SMILESCC(=O)OC(C)(C)C1NCc2cnc3ccccc3c21
InChIInChI=1S/C16H18N2O2/c1-10(19)20-16(2,3)15-14-11(9-18-15)8-17-13-7-5-4-6-12(13)14/h4-8,15,18H,9H2,1-3H3
InChIKeyWNONTVKJQJSDAW-UHFFFAOYSA-N
XLogP2.72
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-pyrrolo[3,4-c]quinolin-1-yl)propan-2-yl acetate?
The IUPAC name of 2-(2,3-dihydro-1H-pyrrolo[3,4-c]quinolin-1-yl)propan-2-yl acetate (CID 156634569) is 2-(2,3-dihydro-1H-pyrrolo[3,4-c]quinolin-1-yl)propan-2-yl acetate.
What is the SMILES notation for 2-(2,3-dihydro-1H-pyrrolo[3,4-c]quinolin-1-yl)propan-2-yl acetate?
The canonical SMILES for 2-(2,3-dihydro-1H-pyrrolo[3,4-c]quinolin-1-yl)propan-2-yl acetate is CC(=O)OC(C)(C)C1NCc2cnc3ccccc3c21.
What is the InChIKey of 2-(2,3-dihydro-1H-pyrrolo[3,4-c]quinolin-1-yl)propan-2-yl acetate?
The InChIKey is WNONTVKJQJSDAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-10(19)20-16(2,3)15-14-11(9-18-15)8-17-13-7-5-4-6-12(13)14/h4-8,15,18H,9H2,1-3H3.
What are the key properties of 2-(2,3-dihydro-1H-pyrrolo[3,4-c]quinolin-1-yl)propan-2-yl acetate?
2-(2,3-dihydro-1H-pyrrolo[3,4-c]quinolin-1-yl)propan-2-yl acetate has a molecular weight of 270.33 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-pyrrolo[3,4-c]quinolin-1-yl)propan-2-yl acetate is sourced from PubChem (CID 156634569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).