1-[4-[7-methoxy-4-[3-(1,3-oxazol-5-yl)anilino]quinazolin-6-yl]oxypiperidin-1-yl]prop-2-en-1-one

C26H25N5O4 — CID 155243065

IUPAC1-[4-[7-methoxy-4-[3-(1,3-oxazol-5-yl)anilino]quinazolin-6-yl]oxypiperidin-1-yl]prop-2-en-1-one
SMILESC=CC(=O)N1CCC(Oc2cc3c(Nc4cccc(-c5cnco5)c4)ncnc3cc2OC)CC1
InChIInChI=1S/C26H25N5O4/c1-3-25(32)31-9-7-19(8-10-31)35-23-12-20-21(13-22(23)33-2)28-15-29-26(20)30-18-6-4-5-17(11-18)24-14-27-16-34-24/h3-6,11-16,19H,1,7-10H2,2H3,(H,28,29,30)
InChIKeyAURZPIANIDXZEM-UHFFFAOYSA-N
MW471.52 g/mol
LogP4.59
Rot. Bonds7

About 1-[4-[7-methoxy-4-[3-(1,3-oxazol-5-yl)anilino]quinazolin-6-yl]oxypiperidin-1-yl]prop-2-en-1-one

1-[4-[7-methoxy-4-[3-(1,3-oxazol-5-yl)anilino]quinazolin-6-yl]oxypiperidin-1-yl]prop-2-en-1-one (PubChem CID 155243065) has the molecular formula C26H25N5O4 and a molecular weight of 471.52 g/mol. Its IUPAC name is 1-[4-[7-methoxy-4-[3-(1,3-oxazol-5-yl)anilino]quinazolin-6-yl]oxypiperidin-1-yl]prop-2-en-1-one.

Molecular Properties

Compound Name1-[4-[7-methoxy-4-[3-(1,3-oxazol-5-yl)anilino]quinazolin-6-yl]oxypiperidin-1-yl]prop-2-en-1-one
PubChem CID155243065
Molecular FormulaC26H25N5O4
Molecular Weight471.52 g/mol
Exact Mass471.19
IUPAC Name1-[4-[7-methoxy-4-[3-(1,3-oxazol-5-yl)anilino]quinazolin-6-yl]oxypiperidin-1-yl]prop-2-en-1-one
SMILESC=CC(=O)N1CCC(Oc2cc3c(Nc4cccc(-c5cnco5)c4)ncnc3cc2OC)CC1
InChIInChI=1S/C26H25N5O4/c1-3-25(32)31-9-7-19(8-10-31)35-23-12-20-21(13-22(23)33-2)28-15-29-26(20)30-18-6-4-5-17(11-18)24-14-27-16-34-24/h3-6,11-16,19H,1,7-10H2,2H3,(H,28,29,30)
InChIKeyAURZPIANIDXZEM-UHFFFAOYSA-N
XLogP4.59
TPSA102.61 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.52
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[7-methoxy-4-[3-(1,3-oxazol-5-yl)anilino]quinazolin-6-yl]oxypiperidin-1-yl]prop-2-en-1-one?
The IUPAC name of 1-[4-[7-methoxy-4-[3-(1,3-oxazol-5-yl)anilino]quinazolin-6-yl]oxypiperidin-1-yl]prop-2-en-1-one (CID 155243065) is 1-[4-[7-methoxy-4-[3-(1,3-oxazol-5-yl)anilino]quinazolin-6-yl]oxypiperidin-1-yl]prop-2-en-1-one.
What is the SMILES notation for 1-[4-[7-methoxy-4-[3-(1,3-oxazol-5-yl)anilino]quinazolin-6-yl]oxypiperidin-1-yl]prop-2-en-1-one?
The canonical SMILES for 1-[4-[7-methoxy-4-[3-(1,3-oxazol-5-yl)anilino]quinazolin-6-yl]oxypiperidin-1-yl]prop-2-en-1-one is C=CC(=O)N1CCC(Oc2cc3c(Nc4cccc(-c5cnco5)c4)ncnc3cc2OC)CC1.
What is the InChIKey of 1-[4-[7-methoxy-4-[3-(1,3-oxazol-5-yl)anilino]quinazolin-6-yl]oxypiperidin-1-yl]prop-2-en-1-one?
The InChIKey is AURZPIANIDXZEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O4/c1-3-25(32)31-9-7-19(8-10-31)35-23-12-20-21(13-22(23)33-2)28-15-29-26(20)30-18-6-4-5-17(11-18)24-14-27-16-34-24/h3-6,11-16,19H,1,7-10H2,2H3,(H,28,29,30).
What are the key properties of 1-[4-[7-methoxy-4-[3-(1,3-oxazol-5-yl)anilino]quinazolin-6-yl]oxypiperidin-1-yl]prop-2-en-1-one?
1-[4-[7-methoxy-4-[3-(1,3-oxazol-5-yl)anilino]quinazolin-6-yl]oxypiperidin-1-yl]prop-2-en-1-one has a molecular weight of 471.52 g/mol, XLogP of 4.59, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[7-methoxy-4-[3-(1,3-oxazol-5-yl)anilino]quinazolin-6-yl]oxypiperidin-1-yl]prop-2-en-1-one is sourced from PubChem (CID 155243065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).