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

C20H17N3O2S — CID 4061501

IUPACN-(4,5-dihydro-1,3-thiazol-2-yl)-2-(3-methoxyphenyl)quinoline-4-carboxamide
SMILESCOc1cccc(-c2cc(C(=O)NC3=NCCS3)c3ccccc3n2)c1
InChIInChI=1S/C20H17N3O2S/c1-25-14-6-4-5-13(11-14)18-12-16(15-7-2-3-8-17(15)22-18)19(24)23-20-21-9-10-26-20/h2-8,11-12H,9-10H2,1H3,(H,21,23,24)
InChIKeySKXSDMXANGPODZ-UHFFFAOYSA-N
MW363.44 g/mol
LogP3.74
Rot. Bonds3

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

N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(3-methoxyphenyl)quinoline-4-carboxamide (PubChem CID 4061501) has the molecular formula C20H17N3O2S and a molecular weight of 363.44 g/mol. Its IUPAC name is N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(3-methoxyphenyl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(4,5-dihydro-1,3-thiazol-2-yl)-2-(3-methoxyphenyl)quinoline-4-carboxamide
PubChem CID4061501
Molecular FormulaC20H17N3O2S
Molecular Weight363.44 g/mol
Exact Mass363.10
IUPAC NameN-(4,5-dihydro-1,3-thiazol-2-yl)-2-(3-methoxyphenyl)quinoline-4-carboxamide
SMILESCOc1cccc(-c2cc(C(=O)NC3=NCCS3)c3ccccc3n2)c1
InChIInChI=1S/C20H17N3O2S/c1-25-14-6-4-5-13(11-14)18-12-16(15-7-2-3-8-17(15)22-18)19(24)23-20-21-9-10-26-20/h2-8,11-12H,9-10H2,1H3,(H,21,23,24)
InChIKeySKXSDMXANGPODZ-UHFFFAOYSA-N
XLogP3.74
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-methoxyphenyl)-N-(2-methylphenyl)quinoline-4-carboxamide
CID 1220289
2-(3-methoxyphenyl)-N-(2,4,6-trimethylphenyl)quinoline-4-carboxamide
CID 4673574
N-(4,5-dihydro-1,3-thiazol-2-yl)-2-methylquinoline-4-carboxamide
CID 2117314
6-bromo-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-phenylquinoline-4-carboxamide
CID 4061427
2-(3-methoxyphenyl)-N-[3-(trifluoromethyl)phenyl]quinoline-4-carboxamide
CID 3414941
N-(4-methoxyphenyl)-2-phenylquinoline-4-carboxamide
CID 1035332
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(3-methoxyphenyl)quinoline-4-carboxamide
CID 4617193
propan-2-yl 2-[[2-(3-methoxyphenyl)quinoline-4-carbonyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 4075569
[2-(3-methoxyphenyl)quinolin-4-yl]-piperidin-1-ylmethanone
CID 896066
1-cyclohexyl-3-[[2-(3-methoxyphenyl)quinoline-4-carbonyl]amino]urea
CID 5076844
N-(2-methoxy-5-nitrophenyl)-2-(3-methoxyphenyl)quinoline-4-carboxamide
CID 5219745
N-hexyl-2-(3-methoxyphenyl)quinoline-4-carboxamide
CID 4540547

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(3-methoxyphenyl)quinoline-4-carboxamide?
The IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(3-methoxyphenyl)quinoline-4-carboxamide (CID 4061501) is N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(3-methoxyphenyl)quinoline-4-carboxamide.
What is the SMILES notation for N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(3-methoxyphenyl)quinoline-4-carboxamide?
The canonical SMILES for N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(3-methoxyphenyl)quinoline-4-carboxamide is COc1cccc(-c2cc(C(=O)NC3=NCCS3)c3ccccc3n2)c1.
What is the InChIKey of N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(3-methoxyphenyl)quinoline-4-carboxamide?
The InChIKey is SKXSDMXANGPODZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O2S/c1-25-14-6-4-5-13(11-14)18-12-16(15-7-2-3-8-17(15)22-18)19(24)23-20-21-9-10-26-20/h2-8,11-12H,9-10H2,1H3,(H,21,23,24).
What are the key properties of N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(3-methoxyphenyl)quinoline-4-carboxamide?
N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(3-methoxyphenyl)quinoline-4-carboxamide has a molecular weight of 363.44 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(3-methoxyphenyl)quinoline-4-carboxamide is sourced from PubChem (CID 4061501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).