4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-2-(2-methoxyphenyl)-1,3-thiazole

C20H20N2OS — CID 4795881

IUPAC4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-2-(2-methoxyphenyl)-1,3-thiazole
SMILESCOc1ccccc1-c1nc(CN2CCCc3ccccc32)cs1
InChIInChI=1S/C20H20N2OS/c1-23-19-11-5-3-9-17(19)20-21-16(14-24-20)13-22-12-6-8-15-7-2-4-10-18(15)22/h2-5,7,9-11,14H,6,8,12-13H2,1H3
InChIKeyPWQUSMDQNZVPLT-UHFFFAOYSA-N
MW336.46 g/mol
LogP4.77
Rot. Bonds4

About 4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-2-(2-methoxyphenyl)-1,3-thiazole

4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-2-(2-methoxyphenyl)-1,3-thiazole (PubChem CID 4795881) has the molecular formula C20H20N2OS and a molecular weight of 336.46 g/mol. Its IUPAC name is 4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-2-(2-methoxyphenyl)-1,3-thiazole.

Molecular Properties

Compound Name4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-2-(2-methoxyphenyl)-1,3-thiazole
PubChem CID4795881
Molecular FormulaC20H20N2OS
Molecular Weight336.46 g/mol
Exact Mass336.13
IUPAC Name4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-2-(2-methoxyphenyl)-1,3-thiazole
SMILESCOc1ccccc1-c1nc(CN2CCCc3ccccc32)cs1
InChIInChI=1S/C20H20N2OS/c1-23-19-11-5-3-9-17(19)20-21-16(14-24-20)13-22-12-6-8-15-7-2-4-10-18(15)22/h2-5,7,9-11,14H,6,8,12-13H2,1H3
InChIKeyPWQUSMDQNZVPLT-UHFFFAOYSA-N
XLogP4.77
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-2-(2-methoxyphenyl)-1,3-thiazole 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

[(1R)-2-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-3,4-dihydro-1H-isoquinolin-1-yl]methanol
CID 96538212
4-(2-bromoethyl)-2-(2-methoxyphenyl)-1,3-thiazole
CID 82094625
N-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl]cyclopentanamine
CID 82516123
3,4-dihydro-2H-quinolin-1-yl-[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methanone
CID 36653262
5-(3,4-dihydro-2H-quinolin-1-ylmethyl)-2-methoxyphenol
CID 82975067
4-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-3-methyl-1,4-diazepan-2-one
CID 126786320
1-[6-(3,4-dihydro-2H-quinolin-1-ylmethyl)-2-pyridinyl]-N-methylmethanamine
CID 106905619
3-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-5,5-diphenylimidazolidine-2,4-dione
CID 17402829
4-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-1,3-thiazol-2-amine
CID 65484060
N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-2-methoxyaniline
CID 54806801
2-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl-methylamino]ethanol
CID 110880723
N-[[4-(2,3-dihydroindol-1-ylmethyl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 62425225

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-2-(2-methoxyphenyl)-1,3-thiazole?
The IUPAC name of 4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-2-(2-methoxyphenyl)-1,3-thiazole (CID 4795881) is 4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-2-(2-methoxyphenyl)-1,3-thiazole.
What is the SMILES notation for 4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-2-(2-methoxyphenyl)-1,3-thiazole?
The canonical SMILES for 4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-2-(2-methoxyphenyl)-1,3-thiazole is COc1ccccc1-c1nc(CN2CCCc3ccccc32)cs1.
What is the InChIKey of 4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-2-(2-methoxyphenyl)-1,3-thiazole?
The InChIKey is PWQUSMDQNZVPLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2OS/c1-23-19-11-5-3-9-17(19)20-21-16(14-24-20)13-22-12-6-8-15-7-2-4-10-18(15)22/h2-5,7,9-11,14H,6,8,12-13H2,1H3.
What are the key properties of 4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-2-(2-methoxyphenyl)-1,3-thiazole?
4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-2-(2-methoxyphenyl)-1,3-thiazole has a molecular weight of 336.46 g/mol, XLogP of 4.77, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-2-(2-methoxyphenyl)-1,3-thiazole is sourced from PubChem (CID 4795881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).