methyl 3-formylpyrrolo[1,2-a]quinoline-1-carboxylate

C15H11NO3 — CID 880885

IUPACmethyl 3-formylpyrrolo[1,2-a]quinoline-1-carboxylate
SMILESCOC(=O)c1cc(C=O)c2ccc3ccccc3n12
InChIInChI=1S/C15H11NO3/c1-19-15(18)14-8-11(9-17)13-7-6-10-4-2-3-5-12(10)16(13)14/h2-9H,1H3
InChIKeyZHGLBEHYMJRBAM-UHFFFAOYSA-N
MW253.26 g/mol
LogP2.69
Rot. Bonds2

About methyl 3-formylpyrrolo[1,2-a]quinoline-1-carboxylate

methyl 3-formylpyrrolo[1,2-a]quinoline-1-carboxylate (PubChem CID 880885) has the molecular formula C15H11NO3 and a molecular weight of 253.26 g/mol. Its IUPAC name is methyl 3-formylpyrrolo[1,2-a]quinoline-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-formylpyrrolo[1,2-a]quinoline-1-carboxylate
PubChem CID880885
Molecular FormulaC15H11NO3
Molecular Weight253.26 g/mol
Exact Mass253.07
IUPAC Namemethyl 3-formylpyrrolo[1,2-a]quinoline-1-carboxylate
SMILESCOC(=O)c1cc(C=O)c2ccc3ccccc3n12
InChIInChI=1S/C15H11NO3/c1-19-15(18)14-8-11(9-17)13-7-6-10-4-2-3-5-12(10)16(13)14/h2-9H,1H3
InChIKeyZHGLBEHYMJRBAM-UHFFFAOYSA-N
XLogP2.69
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 3-formylpyrrolo[1,2-a]quinoline-1-carboxylate?
The IUPAC name of methyl 3-formylpyrrolo[1,2-a]quinoline-1-carboxylate (CID 880885) is methyl 3-formylpyrrolo[1,2-a]quinoline-1-carboxylate.
What is the SMILES notation for methyl 3-formylpyrrolo[1,2-a]quinoline-1-carboxylate?
The canonical SMILES for methyl 3-formylpyrrolo[1,2-a]quinoline-1-carboxylate is COC(=O)c1cc(C=O)c2ccc3ccccc3n12.
What is the InChIKey of methyl 3-formylpyrrolo[1,2-a]quinoline-1-carboxylate?
The InChIKey is ZHGLBEHYMJRBAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO3/c1-19-15(18)14-8-11(9-17)13-7-6-10-4-2-3-5-12(10)16(13)14/h2-9H,1H3.
What are the key properties of methyl 3-formylpyrrolo[1,2-a]quinoline-1-carboxylate?
methyl 3-formylpyrrolo[1,2-a]quinoline-1-carboxylate has a molecular weight of 253.26 g/mol, XLogP of 2.69, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-formylpyrrolo[1,2-a]quinoline-1-carboxylate is sourced from PubChem (CID 880885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).