1,5-dimethyl-4-oxo-N-(2-thiophen-3-ylethyl)pyrrolo[3,2-c]quinoline-2-carboxamide

C20H19N3O2S — CID 5307782

IUPAC1,5-dimethyl-4-oxo-N-(2-thiophen-3-ylethyl)pyrrolo[3,2-c]quinoline-2-carboxamide
SMILESCn1c(C(=O)NCCc2ccsc2)cc2c(=O)n(C)c3ccccc3c21
InChIInChI=1S/C20H19N3O2S/c1-22-17(19(24)21-9-7-13-8-10-26-12-13)11-15-18(22)14-5-3-4-6-16(14)23(2)20(15)25/h3-6,8,10-12H,7,9H2,1-2H3,(H,21,24)
InChIKeyUHLSOHRAJDHHDV-UHFFFAOYSA-N
MW365.46 g/mol
LogP3.06
Rot. Bonds4

About 1,5-dimethyl-4-oxo-N-(2-thiophen-3-ylethyl)pyrrolo[3,2-c]quinoline-2-carboxamide

1,5-dimethyl-4-oxo-N-(2-thiophen-3-ylethyl)pyrrolo[3,2-c]quinoline-2-carboxamide (PubChem CID 5307782) has the molecular formula C20H19N3O2S and a molecular weight of 365.46 g/mol. Its IUPAC name is 1,5-dimethyl-4-oxo-N-(2-thiophen-3-ylethyl)pyrrolo[3,2-c]quinoline-2-carboxamide.

Molecular Properties

Compound Name1,5-dimethyl-4-oxo-N-(2-thiophen-3-ylethyl)pyrrolo[3,2-c]quinoline-2-carboxamide
PubChem CID5307782
Molecular FormulaC20H19N3O2S
Molecular Weight365.46 g/mol
Exact Mass365.12
IUPAC Name1,5-dimethyl-4-oxo-N-(2-thiophen-3-ylethyl)pyrrolo[3,2-c]quinoline-2-carboxamide
SMILESCn1c(C(=O)NCCc2ccsc2)cc2c(=O)n(C)c3ccccc3c21
InChIInChI=1S/C20H19N3O2S/c1-22-17(19(24)21-9-7-13-8-10-26-12-13)11-15-18(22)14-5-3-4-6-16(14)23(2)20(15)25/h3-6,8,10-12H,7,9H2,1-2H3,(H,21,24)
InChIKeyUHLSOHRAJDHHDV-UHFFFAOYSA-N
XLogP3.06
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-4-oxo-N-(2-thiophen-3-ylethyl)pyrrolo[3,2-c]quinoline-2-carboxamide?
The IUPAC name of 1,5-dimethyl-4-oxo-N-(2-thiophen-3-ylethyl)pyrrolo[3,2-c]quinoline-2-carboxamide (CID 5307782) is 1,5-dimethyl-4-oxo-N-(2-thiophen-3-ylethyl)pyrrolo[3,2-c]quinoline-2-carboxamide.
What is the SMILES notation for 1,5-dimethyl-4-oxo-N-(2-thiophen-3-ylethyl)pyrrolo[3,2-c]quinoline-2-carboxamide?
The canonical SMILES for 1,5-dimethyl-4-oxo-N-(2-thiophen-3-ylethyl)pyrrolo[3,2-c]quinoline-2-carboxamide is Cn1c(C(=O)NCCc2ccsc2)cc2c(=O)n(C)c3ccccc3c21.
What is the InChIKey of 1,5-dimethyl-4-oxo-N-(2-thiophen-3-ylethyl)pyrrolo[3,2-c]quinoline-2-carboxamide?
The InChIKey is UHLSOHRAJDHHDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2S/c1-22-17(19(24)21-9-7-13-8-10-26-12-13)11-15-18(22)14-5-3-4-6-16(14)23(2)20(15)25/h3-6,8,10-12H,7,9H2,1-2H3,(H,21,24).
What are the key properties of 1,5-dimethyl-4-oxo-N-(2-thiophen-3-ylethyl)pyrrolo[3,2-c]quinoline-2-carboxamide?
1,5-dimethyl-4-oxo-N-(2-thiophen-3-ylethyl)pyrrolo[3,2-c]quinoline-2-carboxamide has a molecular weight of 365.46 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-4-oxo-N-(2-thiophen-3-ylethyl)pyrrolo[3,2-c]quinoline-2-carboxamide is sourced from PubChem (CID 5307782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).