2-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide

C24H24N4O5 — CID 66906894

IUPAC2-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide
SMILESCOc1cc2ncnc(Oc3ccc(CC(=O)Nc4cc(C(C)C)no4)cc3)c2cc1OC
InChIInChI=1S/C24H24N4O5/c1-14(2)18-12-23(33-28-18)27-22(29)9-15-5-7-16(8-6-15)32-24-17-10-20(30-3)21(31-4)11-19(17)25-13-26-24/h5-8,10-14H,9H2,1-4H3,(H,27,29)
InChIKeyYHYGJLZPCDASHN-UHFFFAOYSA-N
MW448.48 g/mol
LogP4.73
Rot. Bonds8

About 2-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide

2-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide (PubChem CID 66906894) has the molecular formula C24H24N4O5 and a molecular weight of 448.48 g/mol. Its IUPAC name is 2-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide.

Molecular Properties

Compound Name2-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide
PubChem CID66906894
Molecular FormulaC24H24N4O5
Molecular Weight448.48 g/mol
Exact Mass448.17
IUPAC Name2-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide
SMILESCOc1cc2ncnc(Oc3ccc(CC(=O)Nc4cc(C(C)C)no4)cc3)c2cc1OC
InChIInChI=1S/C24H24N4O5/c1-14(2)18-12-23(33-28-18)27-22(29)9-15-5-7-16(8-6-15)32-24-17-10-20(30-3)21(31-4)11-19(17)25-13-26-24/h5-8,10-14H,9H2,1-4H3,(H,27,29)
InChIKeyYHYGJLZPCDASHN-UHFFFAOYSA-N
XLogP4.73
TPSA108.60 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.48
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-N-(3-methoxyphenyl)acetamide
CID 57396557
2-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]acetyl chloride
CID 86238128
N-[3-[(cyclopropylamino)methyl]-5-methoxyphenyl]-2-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]acetamide
CID 66907457
tert-butyl N-[6-[[2-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]acetyl]amino]-3-pyridinyl]-N-propan-2-ylcarbamate
CID 66907423
2-[4-[7-(2-hydroxyethoxy)-6-methoxyquinazolin-4-yl]oxyphenyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 11626865
1-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 22637143
ethyl N-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamate
CID 54582388
N-hydroxy-2-[4-(7-methoxyquinazolin-4-yl)oxyphenyl]acetamide
CID 172991562
2-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-N-(4-methoxyphenyl)-2-oxoacetamide
CID 155671308
[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl] sulfamate
CID 154966615
1-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-(2-methoxyphenyl)urea
CID 22667241
4-(6,7-dimethoxyquinazolin-4-yl)oxy-N-[(3-methoxyphenyl)methyl]benzamide
CID 57394799

Frequently Asked Questions

What is the IUPAC name of 2-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide?
The IUPAC name of 2-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide (CID 66906894) is 2-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide.
What is the SMILES notation for 2-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide?
The canonical SMILES for 2-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide is COc1cc2ncnc(Oc3ccc(CC(=O)Nc4cc(C(C)C)no4)cc3)c2cc1OC.
What is the InChIKey of 2-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide?
The InChIKey is YHYGJLZPCDASHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O5/c1-14(2)18-12-23(33-28-18)27-22(29)9-15-5-7-16(8-6-15)32-24-17-10-20(30-3)21(31-4)11-19(17)25-13-26-24/h5-8,10-14H,9H2,1-4H3,(H,27,29).
What are the key properties of 2-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide?
2-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide has a molecular weight of 448.48 g/mol, XLogP of 4.73, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide is sourced from PubChem (CID 66906894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).