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

C27H25N5O5 — CID 122188333

IUPACethyl 4-[2-oxo-8-[4-(pyridin-2-ylmethoxy)anilino]-[1,3]oxazolo[4,5-g]quinazolin-1-yl]butanoate
SMILESCCOC(=O)CCCn1c(=O)oc2cc3ncnc(Nc4ccc(OCc5ccccn5)cc4)c3cc21
InChIInChI=1S/C27H25N5O5/c1-2-35-25(33)7-5-13-32-23-14-21-22(15-24(23)37-27(32)34)29-17-30-26(21)31-18-8-10-20(11-9-18)36-16-19-6-3-4-12-28-19/h3-4,6,8-12,14-15,17H,2,5,7,13,16H2,1H3,(H,29,30,31)
InChIKeyHPPBJFNZDCQMHH-UHFFFAOYSA-N
MW499.53 g/mol
LogP4.60
Rot. Bonds10

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

ethyl 4-[2-oxo-8-[4-(pyridin-2-ylmethoxy)anilino]-[1,3]oxazolo[4,5-g]quinazolin-1-yl]butanoate (PubChem CID 122188333) has the molecular formula C27H25N5O5 and a molecular weight of 499.53 g/mol. Its IUPAC name is ethyl 4-[2-oxo-8-[4-(pyridin-2-ylmethoxy)anilino]-[1,3]oxazolo[4,5-g]quinazolin-1-yl]butanoate.

Molecular Properties

Compound Nameethyl 4-[2-oxo-8-[4-(pyridin-2-ylmethoxy)anilino]-[1,3]oxazolo[4,5-g]quinazolin-1-yl]butanoate
PubChem CID122188333
Molecular FormulaC27H25N5O5
Molecular Weight499.53 g/mol
Exact Mass499.19
IUPAC Nameethyl 4-[2-oxo-8-[4-(pyridin-2-ylmethoxy)anilino]-[1,3]oxazolo[4,5-g]quinazolin-1-yl]butanoate
SMILESCCOC(=O)CCCn1c(=O)oc2cc3ncnc(Nc4ccc(OCc5ccccn5)cc4)c3cc21
InChIInChI=1S/C27H25N5O5/c1-2-35-25(33)7-5-13-32-23-14-21-22(15-24(23)37-27(32)34)29-17-30-26(21)31-18-8-10-20(11-9-18)36-16-19-6-3-4-12-28-19/h3-4,6,8-12,14-15,17H,2,5,7,13,16H2,1H3,(H,29,30,31)
InChIKeyHPPBJFNZDCQMHH-UHFFFAOYSA-N
XLogP4.60
TPSA121.37 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.53
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze ethyl 4-[2-oxo-8-[4-(pyridin-2-ylmethoxy)anilino]-[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-sulfamoylanilino)-[1,3]oxazolo[4,5-g]quinazolin-1-yl]butanoate
CID 122188324
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
6-N,6-N-dimethyl-4-N-[4-(pyridin-2-ylmethoxy)phenyl]pyrido[3,4-d]pyrimidine-4,6-diamine;hydrochloride
CID 22112825
2-[8-(3-chloro-4-fluoroanilino)-2-oxo-[1,3]oxazolo[4,5-g]quinazolin-1-yl]ethyl 2-bromoacetate
CID 134133060
ethyl 7-[4-(4-benzoylanilino)-7-methoxyquinazolin-6-yl]oxyheptanoate
CID 141401410
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
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 5-[4-[(2-methylquinazolin-4-yl)amino]phenoxy]pentanoate
CID 122550142
ethyl 5-[4-(3-chloro-4-fluoroanilino)quinazolin-6-yl]oxypentanoate
CID 66755406

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-oxo-8-[4-(pyridin-2-ylmethoxy)anilino]-[1,3]oxazolo[4,5-g]quinazolin-1-yl]butanoate?
The IUPAC name of ethyl 4-[2-oxo-8-[4-(pyridin-2-ylmethoxy)anilino]-[1,3]oxazolo[4,5-g]quinazolin-1-yl]butanoate (CID 122188333) is ethyl 4-[2-oxo-8-[4-(pyridin-2-ylmethoxy)anilino]-[1,3]oxazolo[4,5-g]quinazolin-1-yl]butanoate.
What is the SMILES notation for ethyl 4-[2-oxo-8-[4-(pyridin-2-ylmethoxy)anilino]-[1,3]oxazolo[4,5-g]quinazolin-1-yl]butanoate?
The canonical SMILES for ethyl 4-[2-oxo-8-[4-(pyridin-2-ylmethoxy)anilino]-[1,3]oxazolo[4,5-g]quinazolin-1-yl]butanoate is CCOC(=O)CCCn1c(=O)oc2cc3ncnc(Nc4ccc(OCc5ccccn5)cc4)c3cc21.
What is the InChIKey of ethyl 4-[2-oxo-8-[4-(pyridin-2-ylmethoxy)anilino]-[1,3]oxazolo[4,5-g]quinazolin-1-yl]butanoate?
The InChIKey is HPPBJFNZDCQMHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N5O5/c1-2-35-25(33)7-5-13-32-23-14-21-22(15-24(23)37-27(32)34)29-17-30-26(21)31-18-8-10-20(11-9-18)36-16-19-6-3-4-12-28-19/h3-4,6,8-12,14-15,17H,2,5,7,13,16H2,1H3,(H,29,30,31).
What are the key properties of ethyl 4-[2-oxo-8-[4-(pyridin-2-ylmethoxy)anilino]-[1,3]oxazolo[4,5-g]quinazolin-1-yl]butanoate?
ethyl 4-[2-oxo-8-[4-(pyridin-2-ylmethoxy)anilino]-[1,3]oxazolo[4,5-g]quinazolin-1-yl]butanoate has a molecular weight of 499.53 g/mol, XLogP of 4.60, 10 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-oxo-8-[4-(pyridin-2-ylmethoxy)anilino]-[1,3]oxazolo[4,5-g]quinazolin-1-yl]butanoate is sourced from PubChem (CID 122188333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).