[2-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-phenylquinoline-4-carboxylate

C29H23N3O5S — CID 23849618

IUPAC[2-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-phenylquinoline-4-carboxylate
SMILESCOc1ccc(-c2csc(NC(=O)COC(=O)c3cc(-c4ccccc4)nc4ccccc34)n2)cc1OC
InChIInChI=1S/C29H23N3O5S/c1-35-25-13-12-19(14-26(25)36-2)24-17-38-29(31-24)32-27(33)16-37-28(34)21-15-23(18-8-4-3-5-9-18)30-22-11-7-6-10-20(21)22/h3-15,17H,16H2,1-2H3,(H,31,32,33)
InChIKeyMFUNLJGLVXASEV-UHFFFAOYSA-N
MW525.59 g/mol
LogP5.84
Rot. Bonds8

About [2-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-phenylquinoline-4-carboxylate

[2-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-phenylquinoline-4-carboxylate (PubChem CID 23849618) has the molecular formula C29H23N3O5S and a molecular weight of 525.59 g/mol. Its IUPAC name is [2-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-phenylquinoline-4-carboxylate.

Molecular Properties

Compound Name[2-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-phenylquinoline-4-carboxylate
PubChem CID23849618
Molecular FormulaC29H23N3O5S
Molecular Weight525.59 g/mol
Exact Mass525.14
IUPAC Name[2-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-phenylquinoline-4-carboxylate
SMILESCOc1ccc(-c2csc(NC(=O)COC(=O)c3cc(-c4ccccc4)nc4ccccc34)n2)cc1OC
InChIInChI=1S/C29H23N3O5S/c1-35-25-13-12-19(14-26(25)36-2)24-17-38-29(31-24)32-27(33)16-37-28(34)21-15-23(18-8-4-3-5-9-18)30-22-11-7-6-10-20(21)22/h3-15,17H,16H2,1-2H3,(H,31,32,33)
InChIKeyMFUNLJGLVXASEV-UHFFFAOYSA-N
XLogP5.84
TPSA99.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.59
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [2-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-phenylquinoline-4-carboxylate with MolForge

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Related Compounds

[2-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-(3-bromophenyl)quinoline-4-carboxylate
CID 23739845
[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 2-(6-methoxynaphthalen-2-yl)quinoline-4-carboxylate
CID 23829059
[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate
CID 23994526
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide
CID 2162604
[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-thiophen-2-ylquinoline-4-carboxylate
CID 23940632
[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate
CID 2693430
(2-benzamido-2-oxoethyl) 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate
CID 42968678
[2-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-methylquinoline-4-carboxylate
CID 23969698
[2-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 4-oxochromene-2-carboxylate
CID 4558341
[2-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-(2-methoxyphenoxy)acetate
CID 23733738
[2-oxo-2-(3-phenylpropylamino)ethyl] 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate
CID 2093536
[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate
CID 16530903

Frequently Asked Questions

What is the IUPAC name of [2-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-phenylquinoline-4-carboxylate?
The IUPAC name of [2-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-phenylquinoline-4-carboxylate (CID 23849618) is [2-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-phenylquinoline-4-carboxylate.
What is the SMILES notation for [2-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-phenylquinoline-4-carboxylate?
The canonical SMILES for [2-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-phenylquinoline-4-carboxylate is COc1ccc(-c2csc(NC(=O)COC(=O)c3cc(-c4ccccc4)nc4ccccc34)n2)cc1OC.
What is the InChIKey of [2-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-phenylquinoline-4-carboxylate?
The InChIKey is MFUNLJGLVXASEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23N3O5S/c1-35-25-13-12-19(14-26(25)36-2)24-17-38-29(31-24)32-27(33)16-37-28(34)21-15-23(18-8-4-3-5-9-18)30-22-11-7-6-10-20(21)22/h3-15,17H,16H2,1-2H3,(H,31,32,33).
What are the key properties of [2-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-phenylquinoline-4-carboxylate?
[2-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-phenylquinoline-4-carboxylate has a molecular weight of 525.59 g/mol, XLogP of 5.84, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-phenylquinoline-4-carboxylate is sourced from PubChem (CID 23849618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).