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

C21H19ClN4O4 — CID 122188320

IUPACethyl 4-[8-(4-chloroanilino)-2-oxo-[1,3]oxazolo[4,5-g]quinazolin-1-yl]butanoate
SMILESCCOC(=O)CCCn1c(=O)oc2cc3ncnc(Nc4ccc(Cl)cc4)c3cc21
InChIInChI=1S/C21H19ClN4O4/c1-2-29-19(27)4-3-9-26-17-10-15-16(11-18(17)30-21(26)28)23-12-24-20(15)25-14-7-5-13(22)6-8-14/h5-8,10-12H,2-4,9H2,1H3,(H,23,24,25)
InChIKeySEUCLHIHSBSHOP-UHFFFAOYSA-N
MW426.86 g/mol
LogP4.28
Rot. Bonds7

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

ethyl 4-[8-(4-chloroanilino)-2-oxo-[1,3]oxazolo[4,5-g]quinazolin-1-yl]butanoate (PubChem CID 122188320) has the molecular formula C21H19ClN4O4 and a molecular weight of 426.86 g/mol. Its IUPAC name is ethyl 4-[8-(4-chloroanilino)-2-oxo-[1,3]oxazolo[4,5-g]quinazolin-1-yl]butanoate.

Molecular Properties

Compound Nameethyl 4-[8-(4-chloroanilino)-2-oxo-[1,3]oxazolo[4,5-g]quinazolin-1-yl]butanoate
PubChem CID122188320
Molecular FormulaC21H19ClN4O4
Molecular Weight426.86 g/mol
Exact Mass426.11
IUPAC Nameethyl 4-[8-(4-chloroanilino)-2-oxo-[1,3]oxazolo[4,5-g]quinazolin-1-yl]butanoate
SMILESCCOC(=O)CCCn1c(=O)oc2cc3ncnc(Nc4ccc(Cl)cc4)c3cc21
InChIInChI=1S/C21H19ClN4O4/c1-2-29-19(27)4-3-9-26-17-10-15-16(11-18(17)30-21(26)28)23-12-24-20(15)25-14-7-5-13(22)6-8-14/h5-8,10-12H,2-4,9H2,1H3,(H,23,24,25)
InChIKeySEUCLHIHSBSHOP-UHFFFAOYSA-N
XLogP4.28
TPSA99.25 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.86
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

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Related Compounds

ethyl 4-[8-[3-chloro-4-[(4-chlorophenyl)methoxy]anilino]-2-oxo-[1,3]oxazolo[4,5-g]quinazolin-1-yl]butanoate
CID 122188335
ethyl 4-[2-oxo-8-(4-sulfamoylanilino)-[1,3]oxazolo[4,5-g]quinazolin-1-yl]butanoate
CID 122188324
ethyl 4-[2-oxo-8-[4-(pyridin-2-ylmethoxy)anilino]-[1,3]oxazolo[4,5-g]quinazolin-1-yl]butanoate
CID 122188333
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
ethyl 3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)propanoate
CID 121014059
ethyl 5-[4-(3-chloro-4-fluoroanilino)quinazolin-6-yl]oxypentanoate
CID 66755406
ethyl 6-[4-(3-chloro-4-fluoroanilino)quinazolin-6-yl]oxyhexanoate
CID 66755682
ethyl 7-[4-(3-chloro-4-fluoroanilino)-6-(2-methoxyethoxy)quinazolin-7-yl]oxyheptanoate
CID 69009484
methyl 8-(5-chloro-2-oxo-1,3-benzoxazol-3-yl)octanoate
CID 12961165
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

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[8-(4-chloroanilino)-2-oxo-[1,3]oxazolo[4,5-g]quinazolin-1-yl]butanoate?
The IUPAC name of ethyl 4-[8-(4-chloroanilino)-2-oxo-[1,3]oxazolo[4,5-g]quinazolin-1-yl]butanoate (CID 122188320) is ethyl 4-[8-(4-chloroanilino)-2-oxo-[1,3]oxazolo[4,5-g]quinazolin-1-yl]butanoate.
What is the SMILES notation for ethyl 4-[8-(4-chloroanilino)-2-oxo-[1,3]oxazolo[4,5-g]quinazolin-1-yl]butanoate?
The canonical SMILES for ethyl 4-[8-(4-chloroanilino)-2-oxo-[1,3]oxazolo[4,5-g]quinazolin-1-yl]butanoate is CCOC(=O)CCCn1c(=O)oc2cc3ncnc(Nc4ccc(Cl)cc4)c3cc21.
What is the InChIKey of ethyl 4-[8-(4-chloroanilino)-2-oxo-[1,3]oxazolo[4,5-g]quinazolin-1-yl]butanoate?
The InChIKey is SEUCLHIHSBSHOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN4O4/c1-2-29-19(27)4-3-9-26-17-10-15-16(11-18(17)30-21(26)28)23-12-24-20(15)25-14-7-5-13(22)6-8-14/h5-8,10-12H,2-4,9H2,1H3,(H,23,24,25).
What are the key properties of ethyl 4-[8-(4-chloroanilino)-2-oxo-[1,3]oxazolo[4,5-g]quinazolin-1-yl]butanoate?
ethyl 4-[8-(4-chloroanilino)-2-oxo-[1,3]oxazolo[4,5-g]quinazolin-1-yl]butanoate has a molecular weight of 426.86 g/mol, XLogP of 4.28, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[8-(4-chloroanilino)-2-oxo-[1,3]oxazolo[4,5-g]quinazolin-1-yl]butanoate is sourced from PubChem (CID 122188320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).