7-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-5-methyl-4-oxothieno[3,2-c]quinoline-2-carboxamide

C20H22ClN3O2S — CID 20857389

IUPAC7-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-5-methyl-4-oxothieno[3,2-c]quinoline-2-carboxamide
SMILESCCN1CCCC1CNC(=O)c1cc2c(=O)n(C)c3cc(Cl)ccc3c2s1
InChIInChI=1S/C20H22ClN3O2S/c1-3-24-8-4-5-13(24)11-22-19(25)17-10-15-18(27-17)14-7-6-12(21)9-16(14)23(2)20(15)26/h6-7,9-10,13H,3-5,8,11H2,1-2H3,(H,22,25)
InChIKeyBBTHGZFVQZEBKN-UHFFFAOYSA-N
MW403.94 g/mol
LogP3.62
Rot. Bonds4

About 7-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-5-methyl-4-oxothieno[3,2-c]quinoline-2-carboxamide

7-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-5-methyl-4-oxothieno[3,2-c]quinoline-2-carboxamide (PubChem CID 20857389) has the molecular formula C20H22ClN3O2S and a molecular weight of 403.94 g/mol. Its IUPAC name is 7-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-5-methyl-4-oxothieno[3,2-c]quinoline-2-carboxamide.

Molecular Properties

Compound Name7-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-5-methyl-4-oxothieno[3,2-c]quinoline-2-carboxamide
PubChem CID20857389
Molecular FormulaC20H22ClN3O2S
Molecular Weight403.94 g/mol
Exact Mass403.11
IUPAC Name7-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-5-methyl-4-oxothieno[3,2-c]quinoline-2-carboxamide
SMILESCCN1CCCC1CNC(=O)c1cc2c(=O)n(C)c3cc(Cl)ccc3c2s1
InChIInChI=1S/C20H22ClN3O2S/c1-3-24-8-4-5-13(24)11-22-19(25)17-10-15-18(27-17)14-7-6-12(21)9-16(14)23(2)20(15)26/h6-7,9-10,13H,3-5,8,11H2,1-2H3,(H,22,25)
InChIKeyBBTHGZFVQZEBKN-UHFFFAOYSA-N
XLogP3.62
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.94
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 7-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-5-methyl-4-oxothieno[3,2-c]quinoline-2-carboxamide with MolForge

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Related Compounds

5-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-fluorobenzamide
CID 47136529
6-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-oxo-1H-quinoline-3-carboxamide
CID 141109799
1-benzyl-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 8839650
5-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,3,4-thiadiazole-2-carboxamide
CID 80625570
N-[(1-ethylpyrrolidin-2-yl)methyl]-6-methylthieno[2,3-b]quinoline-2-carboxamide
CID 20966357
N-[(1-ethylpyrrolidin-2-yl)methyl]-4-sulfanylthiophene-2-carboxamide
CID 107021324
3,5-dichloro-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-methoxybenzamide
CID 15167696
5-[(2,4-dichlorophenyl)methyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,3,4-oxadiazole-2-carboxamide
CID 22431593
2-(2,4-difluorophenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-oxoisoquinoline-4-carboxamide
CID 4625886
N-[(1-ethylpyrrolidin-2-yl)methyl]-2,4-difluorobenzamide
CID 47007650
N-[(1-ethylpyrrolidin-2-yl)methyl]-4-fluoro-3-sulfanylbenzamide
CID 107021319
4-[5-(2,4-dichlorophenyl)-1H-pyrazol-3-yl]-N-[(1-ethylpyrrolidin-2-yl)methyl]benzamide
CID 46092056

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-5-methyl-4-oxothieno[3,2-c]quinoline-2-carboxamide?
The IUPAC name of 7-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-5-methyl-4-oxothieno[3,2-c]quinoline-2-carboxamide (CID 20857389) is 7-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-5-methyl-4-oxothieno[3,2-c]quinoline-2-carboxamide.
What is the SMILES notation for 7-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-5-methyl-4-oxothieno[3,2-c]quinoline-2-carboxamide?
The canonical SMILES for 7-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-5-methyl-4-oxothieno[3,2-c]quinoline-2-carboxamide is CCN1CCCC1CNC(=O)c1cc2c(=O)n(C)c3cc(Cl)ccc3c2s1.
What is the InChIKey of 7-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-5-methyl-4-oxothieno[3,2-c]quinoline-2-carboxamide?
The InChIKey is BBTHGZFVQZEBKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O2S/c1-3-24-8-4-5-13(24)11-22-19(25)17-10-15-18(27-17)14-7-6-12(21)9-16(14)23(2)20(15)26/h6-7,9-10,13H,3-5,8,11H2,1-2H3,(H,22,25).
What are the key properties of 7-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-5-methyl-4-oxothieno[3,2-c]quinoline-2-carboxamide?
7-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-5-methyl-4-oxothieno[3,2-c]quinoline-2-carboxamide has a molecular weight of 403.94 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-5-methyl-4-oxothieno[3,2-c]quinoline-2-carboxamide is sourced from PubChem (CID 20857389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).