ethyl 4-[2-oxo-8-(4-sulfamoylanilino)-[1,3]oxazolo[4,5-g]quinazolin-1-yl]butanoate

C21H21N5O6S — CID 122188324

IUPACethyl 4-[2-oxo-8-(4-sulfamoylanilino)-[1,3]oxazolo[4,5-g]quinazolin-1-yl]butanoate
SMILESCCOC(=O)CCCn1c(=O)oc2cc3ncnc(Nc4ccc(S(N)(=O)=O)cc4)c3cc21
InChIInChI=1S/C21H21N5O6S/c1-2-31-19(27)4-3-9-26-17-10-15-16(11-18(17)32-21(26)28)23-12-24-20(15)25-13-5-7-14(8-6-13)33(22,29)30/h5-8,10-12H,2-4,9H2,1H3,(H2,22,29,30)(H,23,24,25)
InChIKeyLUWMLLVIYPQKMX-UHFFFAOYSA-N
MW471.50 g/mol
LogP2.27
Rot. Bonds8

About ethyl 4-[2-oxo-8-(4-sulfamoylanilino)-[1,3]oxazolo[4,5-g]quinazolin-1-yl]butanoate

ethyl 4-[2-oxo-8-(4-sulfamoylanilino)-[1,3]oxazolo[4,5-g]quinazolin-1-yl]butanoate (PubChem CID 122188324) has the molecular formula C21H21N5O6S and a molecular weight of 471.50 g/mol. Its IUPAC name is ethyl 4-[2-oxo-8-(4-sulfamoylanilino)-[1,3]oxazolo[4,5-g]quinazolin-1-yl]butanoate.

Molecular Properties

Compound Nameethyl 4-[2-oxo-8-(4-sulfamoylanilino)-[1,3]oxazolo[4,5-g]quinazolin-1-yl]butanoate
PubChem CID122188324
Molecular FormulaC21H21N5O6S
Molecular Weight471.50 g/mol
Exact Mass471.12
IUPAC Nameethyl 4-[2-oxo-8-(4-sulfamoylanilino)-[1,3]oxazolo[4,5-g]quinazolin-1-yl]butanoate
SMILESCCOC(=O)CCCn1c(=O)oc2cc3ncnc(Nc4ccc(S(N)(=O)=O)cc4)c3cc21
InChIInChI=1S/C21H21N5O6S/c1-2-31-19(27)4-3-9-26-17-10-15-16(11-18(17)32-21(26)28)23-12-24-20(15)25-13-5-7-14(8-6-13)33(22,29)30/h5-8,10-12H,2-4,9H2,1H3,(H2,22,29,30)(H,23,24,25)
InChIKeyLUWMLLVIYPQKMX-UHFFFAOYSA-N
XLogP2.27
TPSA159.41 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.50
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze ethyl 4-[2-oxo-8-(4-sulfamoylanilino)-[1,3]oxazolo[4,5-g]quinazolin-1-yl]butanoate with MolForge

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Related Compounds

ethyl 4-[8-(4-chloroanilino)-2-oxo-[1,3]oxazolo[4,5-g]quinazolin-1-yl]butanoate
CID 122188320
ethyl 4-[2-oxo-8-[4-(pyridin-2-ylmethoxy)anilino]-[1,3]oxazolo[4,5-g]quinazolin-1-yl]butanoate
CID 122188333
ethyl 4-[8-[3-chloro-4-[(4-chlorophenyl)methoxy]anilino]-2-oxo-[1,3]oxazolo[4,5-g]quinazolin-1-yl]butanoate
CID 122188335
2-[8-(3-chloro-4-fluoroanilino)-2-oxo-[1,3]oxazolo[4,5-g]quinazolin-1-yl]ethyl 2-chloroacetate
CID 134148374
2-[8-(3-chloro-4-fluoroanilino)-2-oxo-[1,3]oxazolo[4,5-g]quinazolin-1-yl]ethyl 2-bromoacetate
CID 134133060
2-[8-[3-chloro-4-(4-methylpiperazin-1-yl)anilino]-2-oxo-[1,3]oxazolo[4,5-g]quinazolin-1-yl]ethyl 2-bromoacetate
CID 134133329
8-(2-hydroxyanilino)-1-(3-morpholin-4-ylpropyl)-[1,3]oxazolo[4,5-g]quinazolin-2-one
CID 70682361
2-[8-[3-chloro-4-[3-(trifluoromethyl)phenoxy]anilino]-2-oxo-[1,3]oxazolo[4,5-g]quinazolin-1-yl]ethyl 2-bromoacetate
CID 134146163
ethyl 7-[4-(1-benzofuran-5-ylamino)-7-methoxyquinazolin-6-yl]oxyheptanoate
CID 68672933
ethyl 7-[4-(4-benzoylanilino)-7-methoxyquinazolin-6-yl]oxyheptanoate
CID 141401410
ethyl 5-[4-(3-chloro-4-fluoroanilino)quinazolin-6-yl]oxypentanoate
CID 66755406
ethyl 3-[2-(5-bromo-2-oxo-1,3-benzoxazol-3-yl)ethoxy]propanoate
CID 177200529

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-oxo-8-(4-sulfamoylanilino)-[1,3]oxazolo[4,5-g]quinazolin-1-yl]butanoate?
The IUPAC name of ethyl 4-[2-oxo-8-(4-sulfamoylanilino)-[1,3]oxazolo[4,5-g]quinazolin-1-yl]butanoate (CID 122188324) is ethyl 4-[2-oxo-8-(4-sulfamoylanilino)-[1,3]oxazolo[4,5-g]quinazolin-1-yl]butanoate.
What is the SMILES notation for ethyl 4-[2-oxo-8-(4-sulfamoylanilino)-[1,3]oxazolo[4,5-g]quinazolin-1-yl]butanoate?
The canonical SMILES for ethyl 4-[2-oxo-8-(4-sulfamoylanilino)-[1,3]oxazolo[4,5-g]quinazolin-1-yl]butanoate is CCOC(=O)CCCn1c(=O)oc2cc3ncnc(Nc4ccc(S(N)(=O)=O)cc4)c3cc21.
What is the InChIKey of ethyl 4-[2-oxo-8-(4-sulfamoylanilino)-[1,3]oxazolo[4,5-g]quinazolin-1-yl]butanoate?
The InChIKey is LUWMLLVIYPQKMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O6S/c1-2-31-19(27)4-3-9-26-17-10-15-16(11-18(17)32-21(26)28)23-12-24-20(15)25-13-5-7-14(8-6-13)33(22,29)30/h5-8,10-12H,2-4,9H2,1H3,(H2,22,29,30)(H,23,24,25).
What are the key properties of ethyl 4-[2-oxo-8-(4-sulfamoylanilino)-[1,3]oxazolo[4,5-g]quinazolin-1-yl]butanoate?
ethyl 4-[2-oxo-8-(4-sulfamoylanilino)-[1,3]oxazolo[4,5-g]quinazolin-1-yl]butanoate has a molecular weight of 471.50 g/mol, XLogP of 2.27, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-oxo-8-(4-sulfamoylanilino)-[1,3]oxazolo[4,5-g]quinazolin-1-yl]butanoate is sourced from PubChem (CID 122188324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).