1-[3-[4-[5-(furan-2-yl)-2-methoxyanilino]-7-methoxyquinazolin-6-yl]oxyazetidin-1-yl]prop-2-en-1-one

C26H24N4O5 — CID 166086290

IUPAC1-[3-[4-[5-(furan-2-yl)-2-methoxyanilino]-7-methoxyquinazolin-6-yl]oxyazetidin-1-yl]prop-2-en-1-one
SMILESC=CC(=O)N1CC(Oc2cc3c(Nc4cc(-c5ccco5)ccc4OC)ncnc3cc2OC)C1
InChIInChI=1S/C26H24N4O5/c1-4-25(31)30-13-17(14-30)35-24-11-18-19(12-23(24)33-3)27-15-28-26(18)29-20-10-16(7-8-22(20)32-2)21-6-5-9-34-21/h4-12,15,17H,1,13-14H2,2-3H3,(H,27,28,29)
InChIKeyLFMJUKYAZBESOI-UHFFFAOYSA-N
MW472.50 g/mol
LogP4.43
Rot. Bonds8

About 1-[3-[4-[5-(furan-2-yl)-2-methoxyanilino]-7-methoxyquinazolin-6-yl]oxyazetidin-1-yl]prop-2-en-1-one

1-[3-[4-[5-(furan-2-yl)-2-methoxyanilino]-7-methoxyquinazolin-6-yl]oxyazetidin-1-yl]prop-2-en-1-one (PubChem CID 166086290) has the molecular formula C26H24N4O5 and a molecular weight of 472.50 g/mol. Its IUPAC name is 1-[3-[4-[5-(furan-2-yl)-2-methoxyanilino]-7-methoxyquinazolin-6-yl]oxyazetidin-1-yl]prop-2-en-1-one.

Molecular Properties

Compound Name1-[3-[4-[5-(furan-2-yl)-2-methoxyanilino]-7-methoxyquinazolin-6-yl]oxyazetidin-1-yl]prop-2-en-1-one
PubChem CID166086290
Molecular FormulaC26H24N4O5
Molecular Weight472.50 g/mol
Exact Mass472.17
IUPAC Name1-[3-[4-[5-(furan-2-yl)-2-methoxyanilino]-7-methoxyquinazolin-6-yl]oxyazetidin-1-yl]prop-2-en-1-one
SMILESC=CC(=O)N1CC(Oc2cc3c(Nc4cc(-c5ccco5)ccc4OC)ncnc3cc2OC)C1
InChIInChI=1S/C26H24N4O5/c1-4-25(31)30-13-17(14-30)35-24-11-18-19(12-23(24)33-3)27-15-28-26(18)29-20-10-16(7-8-22(20)32-2)21-6-5-9-34-21/h4-12,15,17H,1,13-14H2,2-3H3,(H,27,28,29)
InChIKeyLFMJUKYAZBESOI-UHFFFAOYSA-N
XLogP4.43
TPSA98.95 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.50
LogP ≤ 54.43
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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Related Compounds

1-[3-[4-[5-(furan-2-yl)-2-methoxyanilino]-7-methoxyquinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one
CID 166086281
1-[2-[4-[5-(furan-2-yl)-2-methoxyanilino]-7-methoxyquinazolin-6-yl]oxy-6-azaspiro[3.4]octan-6-yl]prop-2-en-1-one
CID 166086267
2-fluoro-1-[4-[4-[5-(furan-2-yl)-2-methoxyanilino]-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]prop-2-en-1-one
CID 166086190
N-[3-[4-methoxy-3-[[7-methoxy-6-(1-prop-2-enoylazetidin-3-yl)oxyquinazolin-4-yl]amino]phenyl]phenyl]cyclopropanecarboxamide
CID 166086276
1-[4-[4-[5-(1-benzofuran-2-yl)-2-methoxyanilino]-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]prop-2-en-1-one
CID 166086372
1-[4-[[4-[5-(furan-2-yl)-2-methoxyanilino]-7-(3-morpholin-4-ylpropoxy)quinazolin-6-yl]amino]piperidin-1-yl]prop-2-en-1-one
CID 166086166
1-[4-[4-[5-(4-fluorophenyl)-2-methoxyanilino]-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]prop-2-en-1-one
CID 166086373
1-[3-[7-methoxy-4-[(1-methylindazol-7-yl)amino]quinazolin-6-yl]oxyazetidin-1-yl]prop-2-en-1-one
CID 155242975
1-[4-[7-methoxy-4-[2-methoxy-5-(2,3,4,5,6-pentafluorophenyl)anilino]quinazolin-6-yl]oxypiperidin-1-yl]prop-2-en-1-one
CID 167216070
1-[4-[7-methoxy-4-[2-methoxy-5-(1,2-oxazol-4-yl)anilino]quinazolin-6-yl]oxypiperidin-1-yl]prop-2-en-1-one
CID 166086228
1-[4-[4-[5-[3-(dimethylamino)-4-fluorophenyl]-2-methoxyanilino]-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]prop-2-en-1-one
CID 166086237
1-[3-[7-methoxy-4-[2-methoxy-5-[(E)-3-methyliminoprop-1-enyl]anilino]quinazolin-6-yl]oxypyrrolidin-1-yl]prop-2-en-1-one
CID 167215841

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-[5-(furan-2-yl)-2-methoxyanilino]-7-methoxyquinazolin-6-yl]oxyazetidin-1-yl]prop-2-en-1-one?
The IUPAC name of 1-[3-[4-[5-(furan-2-yl)-2-methoxyanilino]-7-methoxyquinazolin-6-yl]oxyazetidin-1-yl]prop-2-en-1-one (CID 166086290) is 1-[3-[4-[5-(furan-2-yl)-2-methoxyanilino]-7-methoxyquinazolin-6-yl]oxyazetidin-1-yl]prop-2-en-1-one.
What is the SMILES notation for 1-[3-[4-[5-(furan-2-yl)-2-methoxyanilino]-7-methoxyquinazolin-6-yl]oxyazetidin-1-yl]prop-2-en-1-one?
The canonical SMILES for 1-[3-[4-[5-(furan-2-yl)-2-methoxyanilino]-7-methoxyquinazolin-6-yl]oxyazetidin-1-yl]prop-2-en-1-one is C=CC(=O)N1CC(Oc2cc3c(Nc4cc(-c5ccco5)ccc4OC)ncnc3cc2OC)C1.
What is the InChIKey of 1-[3-[4-[5-(furan-2-yl)-2-methoxyanilino]-7-methoxyquinazolin-6-yl]oxyazetidin-1-yl]prop-2-en-1-one?
The InChIKey is LFMJUKYAZBESOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O5/c1-4-25(31)30-13-17(14-30)35-24-11-18-19(12-23(24)33-3)27-15-28-26(18)29-20-10-16(7-8-22(20)32-2)21-6-5-9-34-21/h4-12,15,17H,1,13-14H2,2-3H3,(H,27,28,29).
What are the key properties of 1-[3-[4-[5-(furan-2-yl)-2-methoxyanilino]-7-methoxyquinazolin-6-yl]oxyazetidin-1-yl]prop-2-en-1-one?
1-[3-[4-[5-(furan-2-yl)-2-methoxyanilino]-7-methoxyquinazolin-6-yl]oxyazetidin-1-yl]prop-2-en-1-one has a molecular weight of 472.50 g/mol, XLogP of 4.43, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-[5-(furan-2-yl)-2-methoxyanilino]-7-methoxyquinazolin-6-yl]oxyazetidin-1-yl]prop-2-en-1-one is sourced from PubChem (CID 166086290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).