N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide

C21H19N3O3S — CID 2365279

IUPACN-(4,5-dihydro-1,3-thiazol-2-yl)-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NC3=NCCS3)c3ccccc3n2)cc1OC
InChIInChI=1S/C21H19N3O3S/c1-26-18-8-7-13(11-19(18)27-2)17-12-15(14-5-3-4-6-16(14)23-17)20(25)24-21-22-9-10-28-21/h3-8,11-12H,9-10H2,1-2H3,(H,22,24,25)
InChIKeyGKWRDKNGWXNNSU-UHFFFAOYSA-N
MW393.47 g/mol
LogP3.75
Rot. Bonds4

About N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide

N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide (PubChem CID 2365279) has the molecular formula C21H19N3O3S and a molecular weight of 393.47 g/mol. Its IUPAC name is N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(4,5-dihydro-1,3-thiazol-2-yl)-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide
PubChem CID2365279
Molecular FormulaC21H19N3O3S
Molecular Weight393.47 g/mol
Exact Mass393.11
IUPAC NameN-(4,5-dihydro-1,3-thiazol-2-yl)-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NC3=NCCS3)c3ccccc3n2)cc1OC
InChIInChI=1S/C21H19N3O3S/c1-26-18-8-7-13(11-19(18)27-2)17-12-15(14-5-3-4-6-16(14)23-17)20(25)24-21-22-9-10-28-21/h3-8,11-12H,9-10H2,1-2H3,(H,22,24,25)
InChIKeyGKWRDKNGWXNNSU-UHFFFAOYSA-N
XLogP3.75
TPSA72.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide?
The IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide (CID 2365279) is N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide.
What is the SMILES notation for N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide?
The canonical SMILES for N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide is COc1ccc(-c2cc(C(=O)NC3=NCCS3)c3ccccc3n2)cc1OC.
What is the InChIKey of N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide?
The InChIKey is GKWRDKNGWXNNSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O3S/c1-26-18-8-7-13(11-19(18)27-2)17-12-15(14-5-3-4-6-16(14)23-17)20(25)24-21-22-9-10-28-21/h3-8,11-12H,9-10H2,1-2H3,(H,22,24,25).
What are the key properties of N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide?
N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide has a molecular weight of 393.47 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide is sourced from PubChem (CID 2365279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).