ethyl 5-[2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2,4-dioxo-1H-quinazoline-3-carboxylate

C22H17ClN4O5S — CID 58026092

IUPACethyl 5-[2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2,4-dioxo-1H-quinazoline-3-carboxylate
SMILESCCOC(=O)n1c(=O)[nH]c2cccc(CC(=O)Nc3nc(-c4ccc(Cl)cc4)cs3)c2c1=O
InChIInChI=1S/C22H17ClN4O5S/c1-2-32-22(31)27-19(29)18-13(4-3-5-15(18)25-21(27)30)10-17(28)26-20-24-16(11-33-20)12-6-8-14(23)9-7-12/h3-9,11H,2,10H2,1H3,(H,25,30)(H,24,26,28)
InChIKeyIPOBHLPDWLITTR-UHFFFAOYSA-N
MW484.92 g/mol
LogP3.65
Rot. Bonds5

About ethyl 5-[2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2,4-dioxo-1H-quinazoline-3-carboxylate

ethyl 5-[2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2,4-dioxo-1H-quinazoline-3-carboxylate (PubChem CID 58026092) has the molecular formula C22H17ClN4O5S and a molecular weight of 484.92 g/mol. Its IUPAC name is ethyl 5-[2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2,4-dioxo-1H-quinazoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-[2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2,4-dioxo-1H-quinazoline-3-carboxylate
PubChem CID58026092
Molecular FormulaC22H17ClN4O5S
Molecular Weight484.92 g/mol
Exact Mass484.06
IUPAC Nameethyl 5-[2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2,4-dioxo-1H-quinazoline-3-carboxylate
SMILESCCOC(=O)n1c(=O)[nH]c2cccc(CC(=O)Nc3nc(-c4ccc(Cl)cc4)cs3)c2c1=O
InChIInChI=1S/C22H17ClN4O5S/c1-2-32-22(31)27-19(29)18-13(4-3-5-15(18)25-21(27)30)10-17(28)26-20-24-16(11-33-20)12-6-8-14(23)9-7-12/h3-9,11H,2,10H2,1H3,(H,25,30)(H,24,26,28)
InChIKeyIPOBHLPDWLITTR-UHFFFAOYSA-N
XLogP3.65
TPSA123.15 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.92
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze ethyl 5-[2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2,4-dioxo-1H-quinazoline-3-carboxylate with MolForge

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Related Compounds

N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(3-methyl-2,4-dioxo-1H-pyrido[4,3-d]pyrimidin-5-yl)acetamide
CID 89012834
ethyl N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]carbamate
CID 3624682
2-(4-chlorophenyl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 844056
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]decanamide
CID 4302943
2-(4-chlorophenyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 8748052
ethyl 4-[2-[[2-[(4-chlorophenyl)methylsulfanyl]acetyl]amino]-1,3-thiazol-4-yl]benzoate
CID 2334522
2-(benzylamino)-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 43814202
2-(2,6-dichlorophenyl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 7948094
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-naphthalen-2-ylacetamide
CID 16849309
methyl 4-[2-[[2-(2-chlorophenyl)acetyl]amino]-1,3-thiazol-4-yl]benzoate
CID 121023796
[4-[2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]phenyl] butanoate
CID 123388088
2-(2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-5-yl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 91436488

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2,4-dioxo-1H-quinazoline-3-carboxylate?
The IUPAC name of ethyl 5-[2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2,4-dioxo-1H-quinazoline-3-carboxylate (CID 58026092) is ethyl 5-[2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2,4-dioxo-1H-quinazoline-3-carboxylate.
What is the SMILES notation for ethyl 5-[2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2,4-dioxo-1H-quinazoline-3-carboxylate?
The canonical SMILES for ethyl 5-[2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2,4-dioxo-1H-quinazoline-3-carboxylate is CCOC(=O)n1c(=O)[nH]c2cccc(CC(=O)Nc3nc(-c4ccc(Cl)cc4)cs3)c2c1=O.
What is the InChIKey of ethyl 5-[2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2,4-dioxo-1H-quinazoline-3-carboxylate?
The InChIKey is IPOBHLPDWLITTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN4O5S/c1-2-32-22(31)27-19(29)18-13(4-3-5-15(18)25-21(27)30)10-17(28)26-20-24-16(11-33-20)12-6-8-14(23)9-7-12/h3-9,11H,2,10H2,1H3,(H,25,30)(H,24,26,28).
What are the key properties of ethyl 5-[2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2,4-dioxo-1H-quinazoline-3-carboxylate?
ethyl 5-[2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2,4-dioxo-1H-quinazoline-3-carboxylate has a molecular weight of 484.92 g/mol, XLogP of 3.65, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2,4-dioxo-1H-quinazoline-3-carboxylate is sourced from PubChem (CID 58026092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).