1-[4-methyl-2-(1,3-thiazol-4-yl)quinolin-6-yl]pyrrolidin-2-one

C17H15N3OS — CID 169422309

IUPAC1-[4-methyl-2-(1,3-thiazol-4-yl)quinolin-6-yl]pyrrolidin-2-one
SMILESCc1cc(-c2cscn2)nc2ccc(N3CCCC3=O)cc12
InChIInChI=1S/C17H15N3OS/c1-11-7-15(16-9-22-10-18-16)19-14-5-4-12(8-13(11)14)20-6-2-3-17(20)21/h4-5,7-10H,2-3,6H2,1H3
InChIKeyADLHWVXMNHNLKB-UHFFFAOYSA-N
MW309.39 g/mol
LogP3.79
Rot. Bonds2

About 1-[4-methyl-2-(1,3-thiazol-4-yl)quinolin-6-yl]pyrrolidin-2-one

1-[4-methyl-2-(1,3-thiazol-4-yl)quinolin-6-yl]pyrrolidin-2-one (PubChem CID 169422309) has the molecular formula C17H15N3OS and a molecular weight of 309.39 g/mol. Its IUPAC name is 1-[4-methyl-2-(1,3-thiazol-4-yl)quinolin-6-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[4-methyl-2-(1,3-thiazol-4-yl)quinolin-6-yl]pyrrolidin-2-one
PubChem CID169422309
Molecular FormulaC17H15N3OS
Molecular Weight309.39 g/mol
Exact Mass309.09
IUPAC Name1-[4-methyl-2-(1,3-thiazol-4-yl)quinolin-6-yl]pyrrolidin-2-one
SMILESCc1cc(-c2cscn2)nc2ccc(N3CCCC3=O)cc12
InChIInChI=1S/C17H15N3OS/c1-11-7-15(16-9-22-10-18-16)19-14-5-4-12(8-13(11)14)20-6-2-3-17(20)21/h4-5,7-10H,2-3,6H2,1H3
InChIKeyADLHWVXMNHNLKB-UHFFFAOYSA-N
XLogP3.79
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-methyl-2-(3-methylphenyl)quinolin-6-yl]pyrrolidin-2-one
CID 169420701
1-[4-methyl-2-(6-methyl-1,3-benzodioxol-5-yl)quinolin-6-yl]pyrrolidin-2-one
CID 170511746
formic acid;1-[4-methyl-2-(2-methylpyrazol-3-yl)quinolin-6-yl]pyrrolidin-2-one
CID 171339251
1-[2-[3-(hydroxymethyl)-4-propan-2-yloxyphenyl]-4-methylquinolin-6-yl]pyrrolidin-2-one
CID 169416106
1-[2-(3-hydroxy-4,5-dimethoxyphenyl)-4-methylquinolin-7-yl]pyrrolidin-2-one
CID 171389313
1-(3-iodo-4-methylphenyl)pyrrolidin-2-one
CID 70646399
1-(2-methyl-4-pyridinyl)pyrrolidin-2-one
CID 70517179
1-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one
CID 822790
1-[4-methyl-3-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 70195701
N-[3-(2-oxopyrrolidin-1-yl)phenyl]-1,3-thiazole-4-carboxamide
CID 62045003
ethane;1-(4-methylphenyl)pyrrolidin-2-one
CID 143607645
4-(4-methyl-2-pyridinyl)-1,3-thiazole
CID 131134487

Frequently Asked Questions

What is the IUPAC name of 1-[4-methyl-2-(1,3-thiazol-4-yl)quinolin-6-yl]pyrrolidin-2-one?
The IUPAC name of 1-[4-methyl-2-(1,3-thiazol-4-yl)quinolin-6-yl]pyrrolidin-2-one (CID 169422309) is 1-[4-methyl-2-(1,3-thiazol-4-yl)quinolin-6-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[4-methyl-2-(1,3-thiazol-4-yl)quinolin-6-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[4-methyl-2-(1,3-thiazol-4-yl)quinolin-6-yl]pyrrolidin-2-one is Cc1cc(-c2cscn2)nc2ccc(N3CCCC3=O)cc12.
What is the InChIKey of 1-[4-methyl-2-(1,3-thiazol-4-yl)quinolin-6-yl]pyrrolidin-2-one?
The InChIKey is ADLHWVXMNHNLKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3OS/c1-11-7-15(16-9-22-10-18-16)19-14-5-4-12(8-13(11)14)20-6-2-3-17(20)21/h4-5,7-10H,2-3,6H2,1H3.
What are the key properties of 1-[4-methyl-2-(1,3-thiazol-4-yl)quinolin-6-yl]pyrrolidin-2-one?
1-[4-methyl-2-(1,3-thiazol-4-yl)quinolin-6-yl]pyrrolidin-2-one has a molecular weight of 309.39 g/mol, XLogP of 3.79, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methyl-2-(1,3-thiazol-4-yl)quinolin-6-yl]pyrrolidin-2-one is sourced from PubChem (CID 169422309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).