ethyl 2-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]-4-phenyl-1,3-thiazole-5-carboxylate

C29H23N3O4S — CID 2359088

IUPACethyl 2-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]-4-phenyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)c2cc(-c3ccc(OC)cc3)nc3ccccc23)nc1-c1ccccc1
InChIInChI=1S/C29H23N3O4S/c1-3-36-28(34)26-25(19-9-5-4-6-10-19)31-29(37-26)32-27(33)22-17-24(18-13-15-20(35-2)16-14-18)30-23-12-8-7-11-21(22)23/h4-17H,3H2,1-2H3,(H,31,32,33)
InChIKeyLTEQGSZIUHOSNW-UHFFFAOYSA-N
MW509.59 g/mol
LogP6.46
Rot. Bonds7

About ethyl 2-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]-4-phenyl-1,3-thiazole-5-carboxylate

ethyl 2-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]-4-phenyl-1,3-thiazole-5-carboxylate (PubChem CID 2359088) has the molecular formula C29H23N3O4S and a molecular weight of 509.59 g/mol. Its IUPAC name is ethyl 2-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]-4-phenyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]-4-phenyl-1,3-thiazole-5-carboxylate
PubChem CID2359088
Molecular FormulaC29H23N3O4S
Molecular Weight509.59 g/mol
Exact Mass509.14
IUPAC Nameethyl 2-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]-4-phenyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)c2cc(-c3ccc(OC)cc3)nc3ccccc23)nc1-c1ccccc1
InChIInChI=1S/C29H23N3O4S/c1-3-36-28(34)26-25(19-9-5-4-6-10-19)31-29(37-26)32-27(33)22-17-24(18-13-15-20(35-2)16-14-18)30-23-12-8-7-11-21(22)23/h4-17H,3H2,1-2H3,(H,31,32,33)
InChIKeyLTEQGSZIUHOSNW-UHFFFAOYSA-N
XLogP6.46
TPSA90.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.59
LogP ≤ 56.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-2-phenylquinoline-4-carboxamide
CID 4609567
ethyl 2-[(5-fluoro-2-methoxybenzoyl)amino]-4-phenyl-1,3-thiazole-5-carboxylate
CID 55509740
2-(2,4-dimethoxyphenyl)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)quinoline-4-carboxamide
CID 2164416
N-(4-methoxyphenyl)-2-phenylquinoline-4-carboxamide
CID 1035332
ethyl 2-[(2-methoxy-4-methylsulfanylbenzoyl)amino]-4-phenyl-1,3-thiazole-5-carboxylate
CID 16566700
ethyl 2-[(5-chloro-2-fluorobenzoyl)amino]-4-phenyl-1,3-thiazole-5-carboxylate
CID 18288204
N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(3-methoxyphenyl)quinoline-4-carboxamide
CID 4625982
ethyl 2-[(2-methyl-5-nitrobenzoyl)amino]-4-phenyl-1,3-thiazole-5-carboxylate
CID 60596676
ethyl 2-[(2-ethylsulfonylbenzoyl)amino]-4-phenyl-1,3-thiazole-5-carboxylate
CID 41028409
ethyl 2-[(2,4-dinitrobenzoyl)amino]-4-phenyl-1,3-thiazole-5-carboxylate
CID 4261500
ethyl 2-[[2-(4-methylphenyl)acetyl]amino]-4-phenyl-1,3-thiazole-5-carboxylate
CID 16566775
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)quinoline-4-carboxamide
CID 4111073

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]-4-phenyl-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]-4-phenyl-1,3-thiazole-5-carboxylate (CID 2359088) is ethyl 2-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]-4-phenyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]-4-phenyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]-4-phenyl-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(NC(=O)c2cc(-c3ccc(OC)cc3)nc3ccccc23)nc1-c1ccccc1.
What is the InChIKey of ethyl 2-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]-4-phenyl-1,3-thiazole-5-carboxylate?
The InChIKey is LTEQGSZIUHOSNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23N3O4S/c1-3-36-28(34)26-25(19-9-5-4-6-10-19)31-29(37-26)32-27(33)22-17-24(18-13-15-20(35-2)16-14-18)30-23-12-8-7-11-21(22)23/h4-17H,3H2,1-2H3,(H,31,32,33).
What are the key properties of ethyl 2-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]-4-phenyl-1,3-thiazole-5-carboxylate?
ethyl 2-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]-4-phenyl-1,3-thiazole-5-carboxylate has a molecular weight of 509.59 g/mol, XLogP of 6.46, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]-4-phenyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 2359088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).