4-(1,3-benzothiazol-2-yl)-7-(2-oxopyrrolidin-1-yl)-3,4-dihydro-1H-quinolin-2-one

C20H17N3O2S — CID 169411339

IUPAC4-(1,3-benzothiazol-2-yl)-7-(2-oxopyrrolidin-1-yl)-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CC(c2nc3ccccc3s2)c2ccc(N3CCCC3=O)cc2N1
InChIInChI=1S/C20H17N3O2S/c24-18-11-14(20-22-15-4-1-2-5-17(15)26-20)13-8-7-12(10-16(13)21-18)23-9-3-6-19(23)25/h1-2,4-5,7-8,10,14H,3,6,9,11H2,(H,21,24)
InChIKeyQLIKECSROBRENU-UHFFFAOYSA-N
MW363.44 g/mol
LogP3.90
Rot. Bonds2

About 4-(1,3-benzothiazol-2-yl)-7-(2-oxopyrrolidin-1-yl)-3,4-dihydro-1H-quinolin-2-one

4-(1,3-benzothiazol-2-yl)-7-(2-oxopyrrolidin-1-yl)-3,4-dihydro-1H-quinolin-2-one (PubChem CID 169411339) has the molecular formula C20H17N3O2S and a molecular weight of 363.44 g/mol. Its IUPAC name is 4-(1,3-benzothiazol-2-yl)-7-(2-oxopyrrolidin-1-yl)-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name4-(1,3-benzothiazol-2-yl)-7-(2-oxopyrrolidin-1-yl)-3,4-dihydro-1H-quinolin-2-one
PubChem CID169411339
Molecular FormulaC20H17N3O2S
Molecular Weight363.44 g/mol
Exact Mass363.10
IUPAC Name4-(1,3-benzothiazol-2-yl)-7-(2-oxopyrrolidin-1-yl)-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CC(c2nc3ccccc3s2)c2ccc(N3CCCC3=O)cc2N1
InChIInChI=1S/C20H17N3O2S/c24-18-11-14(20-22-15-4-1-2-5-17(15)26-20)13-8-7-12(10-16(13)21-18)23-9-3-6-19(23)25/h1-2,4-5,7-8,10,14H,3,6,9,11H2,(H,21,24)
InChIKeyQLIKECSROBRENU-UHFFFAOYSA-N
XLogP3.90
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(1,3-benzothiazol-2-yl)-7-(2-oxopyrrolidin-1-yl)-3,4-dihydro-1H-quinolin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4R)-7-(2-oxopyrrolidin-1-yl)-4-(2-phenylpyrazol-3-yl)-3,4-dihydro-1H-quinolin-2-one
CID 95134825
4-[1-(4-methoxyphenyl)imidazol-2-yl]-7-(2-oxopyrrolidin-1-yl)-3,4-dihydro-1H-quinolin-2-one
CID 170506240
4-(1,3-benzothiazol-2-yl)-5-sulfanylidenepyrrolidin-2-one
CID 88599496
3-[(4R)-2-oxo-4-quinoxalin-2-yl-3,4-dihydro-1H-quinolin-7-yl]-1,3-oxazolidin-2-one
CID 95144546
1-[4-[2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]acetyl]phenyl]pyrrolidin-2-one
CID 9318121
N'-(1,3-benzothiazol-2-yl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 16955882
1-[5-[(2S)-2-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]-2-chlorophenyl]pyrrolidin-2-one
CID 41190243
3-[3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 17441258
4-(1,3-benzothiazol-2-yl)-1-methyl-5-sulfanylidenepyrrolidin-2-one
CID 88599524
3-(1,3-benzothiazol-2-yl)cyclopentan-1-one
CID 164678956
N-[1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-4-(2-oxopyrrolidin-1-yl)benzamide
CID 46452312
(4R)-7-(2-oxoimidazolidin-1-yl)-4-(5-phenyl-1H-pyrazol-4-yl)-3,4-dihydro-1H-quinolin-2-one
CID 95211804

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-benzothiazol-2-yl)-7-(2-oxopyrrolidin-1-yl)-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 4-(1,3-benzothiazol-2-yl)-7-(2-oxopyrrolidin-1-yl)-3,4-dihydro-1H-quinolin-2-one (CID 169411339) is 4-(1,3-benzothiazol-2-yl)-7-(2-oxopyrrolidin-1-yl)-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 4-(1,3-benzothiazol-2-yl)-7-(2-oxopyrrolidin-1-yl)-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 4-(1,3-benzothiazol-2-yl)-7-(2-oxopyrrolidin-1-yl)-3,4-dihydro-1H-quinolin-2-one is O=C1CC(c2nc3ccccc3s2)c2ccc(N3CCCC3=O)cc2N1.
What is the InChIKey of 4-(1,3-benzothiazol-2-yl)-7-(2-oxopyrrolidin-1-yl)-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is QLIKECSROBRENU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O2S/c24-18-11-14(20-22-15-4-1-2-5-17(15)26-20)13-8-7-12(10-16(13)21-18)23-9-3-6-19(23)25/h1-2,4-5,7-8,10,14H,3,6,9,11H2,(H,21,24).
What are the key properties of 4-(1,3-benzothiazol-2-yl)-7-(2-oxopyrrolidin-1-yl)-3,4-dihydro-1H-quinolin-2-one?
4-(1,3-benzothiazol-2-yl)-7-(2-oxopyrrolidin-1-yl)-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 363.44 g/mol, XLogP of 3.90, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-benzothiazol-2-yl)-7-(2-oxopyrrolidin-1-yl)-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 169411339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).