ethyl 1-(thiophene-2-carbonyl)pyrrolo[1,2-a]quinoline-3-carboxylate

C20H15NO3S — CID 4129711

IUPACethyl 1-(thiophene-2-carbonyl)pyrrolo[1,2-a]quinoline-3-carboxylate
SMILESCCOC(=O)c1cc(C(=O)c2cccs2)n2c1ccc1ccccc12
InChIInChI=1S/C20H15NO3S/c1-2-24-20(23)14-12-17(19(22)18-8-5-11-25-18)21-15-7-4-3-6-13(15)9-10-16(14)21/h3-12H,2H2,1H3
InChIKeyCPDYZNPGVDQQNF-UHFFFAOYSA-N
MW349.41 g/mol
LogP4.56
Rot. Bonds4

About ethyl 1-(thiophene-2-carbonyl)pyrrolo[1,2-a]quinoline-3-carboxylate

ethyl 1-(thiophene-2-carbonyl)pyrrolo[1,2-a]quinoline-3-carboxylate (PubChem CID 4129711) has the molecular formula C20H15NO3S and a molecular weight of 349.41 g/mol. Its IUPAC name is ethyl 1-(thiophene-2-carbonyl)pyrrolo[1,2-a]quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(thiophene-2-carbonyl)pyrrolo[1,2-a]quinoline-3-carboxylate
PubChem CID4129711
Molecular FormulaC20H15NO3S
Molecular Weight349.41 g/mol
Exact Mass349.08
IUPAC Nameethyl 1-(thiophene-2-carbonyl)pyrrolo[1,2-a]quinoline-3-carboxylate
SMILESCCOC(=O)c1cc(C(=O)c2cccs2)n2c1ccc1ccccc12
InChIInChI=1S/C20H15NO3S/c1-2-24-20(23)14-12-17(19(22)18-8-5-11-25-18)21-15-7-4-3-6-13(15)9-10-16(14)21/h3-12H,2H2,1H3
InChIKeyCPDYZNPGVDQQNF-UHFFFAOYSA-N
XLogP4.56
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(thiophene-2-carbonyl)pyrrolo[1,2-a]quinoline-3-carboxylate?
The IUPAC name of ethyl 1-(thiophene-2-carbonyl)pyrrolo[1,2-a]quinoline-3-carboxylate (CID 4129711) is ethyl 1-(thiophene-2-carbonyl)pyrrolo[1,2-a]quinoline-3-carboxylate.
What is the SMILES notation for ethyl 1-(thiophene-2-carbonyl)pyrrolo[1,2-a]quinoline-3-carboxylate?
The canonical SMILES for ethyl 1-(thiophene-2-carbonyl)pyrrolo[1,2-a]quinoline-3-carboxylate is CCOC(=O)c1cc(C(=O)c2cccs2)n2c1ccc1ccccc12.
What is the InChIKey of ethyl 1-(thiophene-2-carbonyl)pyrrolo[1,2-a]quinoline-3-carboxylate?
The InChIKey is CPDYZNPGVDQQNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15NO3S/c1-2-24-20(23)14-12-17(19(22)18-8-5-11-25-18)21-15-7-4-3-6-13(15)9-10-16(14)21/h3-12H,2H2,1H3.
What are the key properties of ethyl 1-(thiophene-2-carbonyl)pyrrolo[1,2-a]quinoline-3-carboxylate?
ethyl 1-(thiophene-2-carbonyl)pyrrolo[1,2-a]quinoline-3-carboxylate has a molecular weight of 349.41 g/mol, XLogP of 4.56, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(thiophene-2-carbonyl)pyrrolo[1,2-a]quinoline-3-carboxylate is sourced from PubChem (CID 4129711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).