5-ethyl-4-oxo-N-(3-pyrrolidin-1-ylpropyl)thieno[3,2-c]quinoline-2-carboxamide

C21H25N3O2S — CID 20865333

IUPAC5-ethyl-4-oxo-N-(3-pyrrolidin-1-ylpropyl)thieno[3,2-c]quinoline-2-carboxamide
SMILESCCn1c(=O)c2cc(C(=O)NCCCN3CCCC3)sc2c2ccccc21
InChIInChI=1S/C21H25N3O2S/c1-2-24-17-9-4-3-8-15(17)19-16(21(24)26)14-18(27-19)20(25)22-10-7-13-23-11-5-6-12-23/h3-4,8-9,14H,2,5-7,10-13H2,1H3,(H,22,25)
InChIKeyCVYPFPIDUZVRBV-UHFFFAOYSA-N
MW383.52 g/mol
LogP3.45
Rot. Bonds6

About 5-ethyl-4-oxo-N-(3-pyrrolidin-1-ylpropyl)thieno[3,2-c]quinoline-2-carboxamide

5-ethyl-4-oxo-N-(3-pyrrolidin-1-ylpropyl)thieno[3,2-c]quinoline-2-carboxamide (PubChem CID 20865333) has the molecular formula C21H25N3O2S and a molecular weight of 383.52 g/mol. Its IUPAC name is 5-ethyl-4-oxo-N-(3-pyrrolidin-1-ylpropyl)thieno[3,2-c]quinoline-2-carboxamide.

Molecular Properties

Compound Name5-ethyl-4-oxo-N-(3-pyrrolidin-1-ylpropyl)thieno[3,2-c]quinoline-2-carboxamide
PubChem CID20865333
Molecular FormulaC21H25N3O2S
Molecular Weight383.52 g/mol
Exact Mass383.17
IUPAC Name5-ethyl-4-oxo-N-(3-pyrrolidin-1-ylpropyl)thieno[3,2-c]quinoline-2-carboxamide
SMILESCCn1c(=O)c2cc(C(=O)NCCCN3CCCC3)sc2c2ccccc21
InChIInChI=1S/C21H25N3O2S/c1-2-24-17-9-4-3-8-15(17)19-16(21(24)26)14-18(27-19)20(25)22-10-7-13-23-11-5-6-12-23/h3-4,8-9,14H,2,5-7,10-13H2,1H3,(H,22,25)
InChIKeyCVYPFPIDUZVRBV-UHFFFAOYSA-N
XLogP3.45
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.52
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-methyl-4-oxo-N-[3-(4-propylpiperazin-1-yl)propyl]thieno[3,2-c]quinoline-2-carboxamide
CID 20857519
N-cyclopentyl-5-ethyl-4-oxothieno[3,2-c]quinoline-2-carboxamide
CID 6622578
1-ethyl-4-hydroxy-2-oxo-N-(3-piperidin-1-ylpropyl)quinoline-3-carboxamide
CID 54683762
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-ethyl-4-oxothieno[3,2-c]quinoline-2-carboxamide
CID 20865329
N-[(2,4-dimethoxyphenyl)methyl]-5-ethyl-4-oxothieno[3,2-c]quinoline-2-carboxamide
CID 20865399
5-ethyl-2-(morpholine-4-carbonyl)thieno[3,2-c]quinolin-4-one
CID 5309656
4-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]thieno[3,2-c]quinoline-2-carboxamide
CID 46256069
5-ethyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-oxothieno[3,2-c]quinoline-2-carboxamide
CID 20865415
N-(3,4-dimethylphenyl)-5-ethyl-N-methyl-4-oxothieno[3,2-c]quinoline-2-carboxamide
CID 20865347
2-[4-(4-chlorophenyl)piperazine-1-carbonyl]-5-ethylthieno[3,2-c]quinolin-4-one
CID 20865373
1-methyl-N-(5-piperidin-1-ylpentyl)indazole-3-carboxamide
CID 54486483
3-(2-fluorophenyl)-1-methyl-N-(3-pyrrolidin-1-ylpropyl)thieno[3,2-d]pyrazole-5-carboxamide
CID 20857586

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-oxo-N-(3-pyrrolidin-1-ylpropyl)thieno[3,2-c]quinoline-2-carboxamide?
The IUPAC name of 5-ethyl-4-oxo-N-(3-pyrrolidin-1-ylpropyl)thieno[3,2-c]quinoline-2-carboxamide (CID 20865333) is 5-ethyl-4-oxo-N-(3-pyrrolidin-1-ylpropyl)thieno[3,2-c]quinoline-2-carboxamide.
What is the SMILES notation for 5-ethyl-4-oxo-N-(3-pyrrolidin-1-ylpropyl)thieno[3,2-c]quinoline-2-carboxamide?
The canonical SMILES for 5-ethyl-4-oxo-N-(3-pyrrolidin-1-ylpropyl)thieno[3,2-c]quinoline-2-carboxamide is CCn1c(=O)c2cc(C(=O)NCCCN3CCCC3)sc2c2ccccc21.
What is the InChIKey of 5-ethyl-4-oxo-N-(3-pyrrolidin-1-ylpropyl)thieno[3,2-c]quinoline-2-carboxamide?
The InChIKey is CVYPFPIDUZVRBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2S/c1-2-24-17-9-4-3-8-15(17)19-16(21(24)26)14-18(27-19)20(25)22-10-7-13-23-11-5-6-12-23/h3-4,8-9,14H,2,5-7,10-13H2,1H3,(H,22,25).
What are the key properties of 5-ethyl-4-oxo-N-(3-pyrrolidin-1-ylpropyl)thieno[3,2-c]quinoline-2-carboxamide?
5-ethyl-4-oxo-N-(3-pyrrolidin-1-ylpropyl)thieno[3,2-c]quinoline-2-carboxamide has a molecular weight of 383.52 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-oxo-N-(3-pyrrolidin-1-ylpropyl)thieno[3,2-c]quinoline-2-carboxamide is sourced from PubChem (CID 20865333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).