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

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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).