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

C19H19N3OS — CID 169411675

IUPAC2-[4-methyl-2-(1,2-thiazol-4-yl)quinolin-6-yl]-1-pyrrolidin-1-ylethanone
SMILESCc1cc(-c2cnsc2)nc2ccc(CC(=O)N3CCCC3)cc12
InChIInChI=1S/C19H19N3OS/c1-13-8-18(15-11-20-24-12-15)21-17-5-4-14(9-16(13)17)10-19(23)22-6-2-3-7-22/h4-5,8-9,11-12H,2-3,6-7,10H2,1H3
InChIKeyLBSXJVIIRRCSKF-UHFFFAOYSA-N
MW337.45 g/mol
LogP3.83
Rot. Bonds3

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

2-[4-methyl-2-(1,2-thiazol-4-yl)quinolin-6-yl]-1-pyrrolidin-1-ylethanone (PubChem CID 169411675) has the molecular formula C19H19N3OS and a molecular weight of 337.45 g/mol. Its IUPAC name is 2-[4-methyl-2-(1,2-thiazol-4-yl)quinolin-6-yl]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[4-methyl-2-(1,2-thiazol-4-yl)quinolin-6-yl]-1-pyrrolidin-1-ylethanone
PubChem CID169411675
Molecular FormulaC19H19N3OS
Molecular Weight337.45 g/mol
Exact Mass337.12
IUPAC Name2-[4-methyl-2-(1,2-thiazol-4-yl)quinolin-6-yl]-1-pyrrolidin-1-ylethanone
SMILESCc1cc(-c2cnsc2)nc2ccc(CC(=O)N3CCCC3)cc12
InChIInChI=1S/C19H19N3OS/c1-13-8-18(15-11-20-24-12-15)21-17-5-4-14(9-16(13)17)10-19(23)22-6-2-3-7-22/h4-5,8-9,11-12H,2-3,6-7,10H2,1H3
InChIKeyLBSXJVIIRRCSKF-UHFFFAOYSA-N
XLogP3.83
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-methyl-2-(1-methylpyrazol-4-yl)quinolin-6-yl]-1-pyrrolidin-1-ylethanone
CID 169412361
2-[4-methyl-2-(3-methylphenyl)quinolin-6-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 170511551
2-(2-methyl-3H-benzimidazol-5-yl)-1-pyrrolidin-1-ylethanone
CID 110772537
2-[4-cyclopropyl-2-(2-methylpyrazol-3-yl)quinolin-6-yl]-1-pyrrolidin-1-ylethanone
CID 170511024
2-[4-[7-(hydroxymethyl)-4-methylquinolin-2-yl]phenoxy]-1-piperidin-1-ylethanone
CID 170511844
N-cyclopropyl-2-[2-(4-fluorophenyl)-4-methylquinolin-6-yl]acetamide
CID 170505736
2-(3,4-difluorophenyl)-1-pyrrolidin-1-ylethanone
CID 71683361
2-(3,4-dichlorophenyl)-1-pyrrolidin-1-ylethanone
CID 10422618
5-[4-methyl-6-(pyrrolidin-1-ylmethyl)quinolin-2-yl]-1H-pyridin-2-one
CID 169418552
1-(azepan-1-yl)-2-(3,4-dichlorophenyl)ethanone
CID 60629303
2-(1-methylbenzimidazol-5-yl)-1-pyrrolidin-1-ylethanone
CID 110772869
1-(4-methyl-1,4-diazepan-1-yl)-2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethanone
CID 78859314

Frequently Asked Questions

What is the IUPAC name of 2-[4-methyl-2-(1,2-thiazol-4-yl)quinolin-6-yl]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[4-methyl-2-(1,2-thiazol-4-yl)quinolin-6-yl]-1-pyrrolidin-1-ylethanone (CID 169411675) is 2-[4-methyl-2-(1,2-thiazol-4-yl)quinolin-6-yl]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[4-methyl-2-(1,2-thiazol-4-yl)quinolin-6-yl]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[4-methyl-2-(1,2-thiazol-4-yl)quinolin-6-yl]-1-pyrrolidin-1-ylethanone is Cc1cc(-c2cnsc2)nc2ccc(CC(=O)N3CCCC3)cc12.
What is the InChIKey of 2-[4-methyl-2-(1,2-thiazol-4-yl)quinolin-6-yl]-1-pyrrolidin-1-ylethanone?
The InChIKey is LBSXJVIIRRCSKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3OS/c1-13-8-18(15-11-20-24-12-15)21-17-5-4-14(9-16(13)17)10-19(23)22-6-2-3-7-22/h4-5,8-9,11-12H,2-3,6-7,10H2,1H3.
What are the key properties of 2-[4-methyl-2-(1,2-thiazol-4-yl)quinolin-6-yl]-1-pyrrolidin-1-ylethanone?
2-[4-methyl-2-(1,2-thiazol-4-yl)quinolin-6-yl]-1-pyrrolidin-1-ylethanone has a molecular weight of 337.45 g/mol, XLogP of 3.83, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methyl-2-(1,2-thiazol-4-yl)quinolin-6-yl]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 169411675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).