1-(2-methylquinolin-4-yl)-3-(1,2-thiazol-5-yl)propan-1-one

C16H14N2OS — CID 70383447

IUPAC1-(2-methylquinolin-4-yl)-3-(1,2-thiazol-5-yl)propan-1-one
SMILESCc1cc(C(=O)CCc2ccns2)c2ccccc2n1
InChIInChI=1S/C16H14N2OS/c1-11-10-14(13-4-2-3-5-15(13)18-11)16(19)7-6-12-8-9-17-20-12/h2-5,8-10H,6-7H2,1H3
InChIKeyVMTJMEHITUVBRX-UHFFFAOYSA-N
MW282.37 g/mol
LogP3.82
Rot. Bonds4

About 1-(2-methylquinolin-4-yl)-3-(1,2-thiazol-5-yl)propan-1-one

1-(2-methylquinolin-4-yl)-3-(1,2-thiazol-5-yl)propan-1-one (PubChem CID 70383447) has the molecular formula C16H14N2OS and a molecular weight of 282.37 g/mol. Its IUPAC name is 1-(2-methylquinolin-4-yl)-3-(1,2-thiazol-5-yl)propan-1-one.

Molecular Properties

Compound Name1-(2-methylquinolin-4-yl)-3-(1,2-thiazol-5-yl)propan-1-one
PubChem CID70383447
Molecular FormulaC16H14N2OS
Molecular Weight282.37 g/mol
Exact Mass282.08
IUPAC Name1-(2-methylquinolin-4-yl)-3-(1,2-thiazol-5-yl)propan-1-one
SMILESCc1cc(C(=O)CCc2ccns2)c2ccccc2n1
InChIInChI=1S/C16H14N2OS/c1-11-10-14(13-4-2-3-5-15(13)18-11)16(19)7-6-12-8-9-17-20-12/h2-5,8-10H,6-7H2,1H3
InChIKeyVMTJMEHITUVBRX-UHFFFAOYSA-N
XLogP3.82
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methylquinolin-4-yl)heptan-1-one
CID 54325185
2-methoxy-1-(2-methylquinolin-4-yl)ethanone
CID 105115074
3-methyl-1-(2-methylquinolin-4-yl)butan-1-one
CID 105077594
3-methyl-1-(2-methylquinolin-4-yl)but-3-en-1-one
CID 105112623
2-(4-methylphenyl)-1-(2-methylquinolin-4-yl)ethanone
CID 105078848
2-(1-methylimidazol-2-yl)-1-(2-methylquinolin-4-yl)ethanone
CID 105116313
2-ethyl-1-(2-methylquinolin-4-yl)butan-1-one
CID 102319888
1-(2-methylquinolin-4-yl)prop-2-yn-1-one
CID 105108238
2-(2-methylquinolin-4-yl)acetic acid
CID 79019861
6-[2-chloro-5-(1H-pyrazol-5-yl)phenyl]-1-(2-methylquinolin-4-yl)hexan-1-one
CID 70383588
benzyl 2-methylquinoline-4-carboxylate
CID 804130
1-(2-methylquinolin-4-yl)hexan-3-one
CID 79429367

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylquinolin-4-yl)-3-(1,2-thiazol-5-yl)propan-1-one?
The IUPAC name of 1-(2-methylquinolin-4-yl)-3-(1,2-thiazol-5-yl)propan-1-one (CID 70383447) is 1-(2-methylquinolin-4-yl)-3-(1,2-thiazol-5-yl)propan-1-one.
What is the SMILES notation for 1-(2-methylquinolin-4-yl)-3-(1,2-thiazol-5-yl)propan-1-one?
The canonical SMILES for 1-(2-methylquinolin-4-yl)-3-(1,2-thiazol-5-yl)propan-1-one is Cc1cc(C(=O)CCc2ccns2)c2ccccc2n1.
What is the InChIKey of 1-(2-methylquinolin-4-yl)-3-(1,2-thiazol-5-yl)propan-1-one?
The InChIKey is VMTJMEHITUVBRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2OS/c1-11-10-14(13-4-2-3-5-15(13)18-11)16(19)7-6-12-8-9-17-20-12/h2-5,8-10H,6-7H2,1H3.
What are the key properties of 1-(2-methylquinolin-4-yl)-3-(1,2-thiazol-5-yl)propan-1-one?
1-(2-methylquinolin-4-yl)-3-(1,2-thiazol-5-yl)propan-1-one has a molecular weight of 282.37 g/mol, XLogP of 3.82, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylquinolin-4-yl)-3-(1,2-thiazol-5-yl)propan-1-one is sourced from PubChem (CID 70383447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).