methyl 2,3-dihydro-1H-pyrrolo[3,4-c]quinoline-4-carboxylate

C13H12N2O2 — CID 156634566

IUPACmethyl 2,3-dihydro-1H-pyrrolo[3,4-c]quinoline-4-carboxylate
SMILESCOC(=O)c1nc2ccccc2c2c1CNC2
InChIInChI=1S/C13H12N2O2/c1-17-13(16)12-10-7-14-6-9(10)8-4-2-3-5-11(8)15-12/h2-5,14H,6-7H2,1H3
InChIKeyHNEHRCABRRETAY-UHFFFAOYSA-N
MW228.25 g/mol
LogP1.62
Rot. Bonds1

About methyl 2,3-dihydro-1H-pyrrolo[3,4-c]quinoline-4-carboxylate

methyl 2,3-dihydro-1H-pyrrolo[3,4-c]quinoline-4-carboxylate (PubChem CID 156634566) has the molecular formula C13H12N2O2 and a molecular weight of 228.25 g/mol. Its IUPAC name is methyl 2,3-dihydro-1H-pyrrolo[3,4-c]quinoline-4-carboxylate.

Molecular Properties

Compound Namemethyl 2,3-dihydro-1H-pyrrolo[3,4-c]quinoline-4-carboxylate
PubChem CID156634566
Molecular FormulaC13H12N2O2
Molecular Weight228.25 g/mol
Exact Mass228.09
IUPAC Namemethyl 2,3-dihydro-1H-pyrrolo[3,4-c]quinoline-4-carboxylate
SMILESCOC(=O)c1nc2ccccc2c2c1CNC2
InChIInChI=1S/C13H12N2O2/c1-17-13(16)12-10-7-14-6-9(10)8-4-2-3-5-11(8)15-12/h2-5,14H,6-7H2,1H3
InChIKeyHNEHRCABRRETAY-UHFFFAOYSA-N
XLogP1.62
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2,3-dihydro-1H-pyrrolo[3,4-c]quinoline-4-carboxylate?
The IUPAC name of methyl 2,3-dihydro-1H-pyrrolo[3,4-c]quinoline-4-carboxylate (CID 156634566) is methyl 2,3-dihydro-1H-pyrrolo[3,4-c]quinoline-4-carboxylate.
What is the SMILES notation for methyl 2,3-dihydro-1H-pyrrolo[3,4-c]quinoline-4-carboxylate?
The canonical SMILES for methyl 2,3-dihydro-1H-pyrrolo[3,4-c]quinoline-4-carboxylate is COC(=O)c1nc2ccccc2c2c1CNC2.
What is the InChIKey of methyl 2,3-dihydro-1H-pyrrolo[3,4-c]quinoline-4-carboxylate?
The InChIKey is HNEHRCABRRETAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2/c1-17-13(16)12-10-7-14-6-9(10)8-4-2-3-5-11(8)15-12/h2-5,14H,6-7H2,1H3.
What are the key properties of methyl 2,3-dihydro-1H-pyrrolo[3,4-c]quinoline-4-carboxylate?
methyl 2,3-dihydro-1H-pyrrolo[3,4-c]quinoline-4-carboxylate has a molecular weight of 228.25 g/mol, XLogP of 1.62, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,3-dihydro-1H-pyrrolo[3,4-c]quinoline-4-carboxylate is sourced from PubChem (CID 156634566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).