N-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-3-fluorophenyl]-2-(4-propan-2-yltriazol-1-yl)acetamide

C23H23FN6O4 — CID 135368212

IUPACN-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-3-fluorophenyl]-2-(4-propan-2-yltriazol-1-yl)acetamide
SMILESCOc1cc2ncnc(Oc3ccc(NC(=O)Cn4cc(C(C)C)nn4)cc3F)c2cc1OC
InChIInChI=1S/C23H23FN6O4/c1-13(2)18-10-30(29-28-18)11-22(31)27-14-5-6-19(16(24)7-14)34-23-15-8-20(32-3)21(33-4)9-17(15)25-12-26-23/h5-10,12-13H,11H2,1-4H3,(H,27,31)
InChIKeyNZXNSWJXBONROW-UHFFFAOYSA-N
MW466.47 g/mol
LogP3.93
Rot. Bonds8

About N-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-3-fluorophenyl]-2-(4-propan-2-yltriazol-1-yl)acetamide

N-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-3-fluorophenyl]-2-(4-propan-2-yltriazol-1-yl)acetamide (PubChem CID 135368212) has the molecular formula C23H23FN6O4 and a molecular weight of 466.47 g/mol. Its IUPAC name is N-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-3-fluorophenyl]-2-(4-propan-2-yltriazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-3-fluorophenyl]-2-(4-propan-2-yltriazol-1-yl)acetamide
PubChem CID135368212
Molecular FormulaC23H23FN6O4
Molecular Weight466.47 g/mol
Exact Mass466.18
IUPAC NameN-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-3-fluorophenyl]-2-(4-propan-2-yltriazol-1-yl)acetamide
SMILESCOc1cc2ncnc(Oc3ccc(NC(=O)Cn4cc(C(C)C)nn4)cc3F)c2cc1OC
InChIInChI=1S/C23H23FN6O4/c1-13(2)18-10-30(29-28-18)11-22(31)27-14-5-6-19(16(24)7-14)34-23-15-8-20(32-3)21(33-4)9-17(15)25-12-26-23/h5-10,12-13H,11H2,1-4H3,(H,27,31)
InChIKeyNZXNSWJXBONROW-UHFFFAOYSA-N
XLogP3.93
TPSA113.28 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.47
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-3-fluorophenyl]-2-(4-propan-2-yltriazol-1-yl)acetamide with MolForge

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Related Compounds

N-[4-[(7-fluoro-5-methoxyquinazolin-4-yl)amino]phenyl]-2-(4-propan-2-yltriazol-1-yl)acetamide
CID 135367200
1-[2-(3-fluoro-4-methoxyanilino)-2-oxoethyl]triazole-4-carboxylic acid
CID 66289937
2-[4-[7-methoxy-6-(2-methoxyethoxy)quinazolin-4-yl]oxypyrazol-1-yl]-N-(3-methoxyphenyl)acetamide
CID 57393063
N-(4-chloro-3-formylphenyl)-2-[4-(6,7-dimethoxyquinazolin-4-yl)oxypyrazol-1-yl]acetamide
CID 86627017
N-[3-fluoro-4-[6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-yl]oxyphenyl]-1-methylcyclopropane-1-carboxamide
CID 134566631
2-[4-(6,7-dimethoxyquinazolin-4-yl)oxypyrazol-1-yl]-N-[3-(methylaminomethyl)phenyl]acetamide
CID 69081246
2-[4-(1-hydroxyethyl)triazol-1-yl]-N-(4-methoxyphenyl)acetamide
CID 80742697
tert-butyl 3-[5-[[2-[4-(6,7-dimethoxyquinazolin-4-yl)oxypyrazol-1-yl]acetyl]amino]-2-methoxyphenoxy]azetidine-1-carboxylate
CID 69077108
1-(3-chloro-4-fluorophenyl)-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]urea
CID 54586238
1-N'-[3-fluoro-4-[7-methoxy-6-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-yl]oxyphenyl]-1-N-(4-methylphenyl)cyclopropane-1,1-dicarboxamide
CID 130443839
N-[4-[[5-ethoxy-7-(2-methoxyethoxy)quinazolin-4-yl]amino]phenyl]-2-(4-propan-2-yltriazol-1-yl)acetamide
CID 135367784
2-[4-(1-aminoethyl)triazol-1-yl]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 114419794

Frequently Asked Questions

What is the IUPAC name of N-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-3-fluorophenyl]-2-(4-propan-2-yltriazol-1-yl)acetamide?
The IUPAC name of N-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-3-fluorophenyl]-2-(4-propan-2-yltriazol-1-yl)acetamide (CID 135368212) is N-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-3-fluorophenyl]-2-(4-propan-2-yltriazol-1-yl)acetamide.
What is the SMILES notation for N-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-3-fluorophenyl]-2-(4-propan-2-yltriazol-1-yl)acetamide?
The canonical SMILES for N-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-3-fluorophenyl]-2-(4-propan-2-yltriazol-1-yl)acetamide is COc1cc2ncnc(Oc3ccc(NC(=O)Cn4cc(C(C)C)nn4)cc3F)c2cc1OC.
What is the InChIKey of N-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-3-fluorophenyl]-2-(4-propan-2-yltriazol-1-yl)acetamide?
The InChIKey is NZXNSWJXBONROW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN6O4/c1-13(2)18-10-30(29-28-18)11-22(31)27-14-5-6-19(16(24)7-14)34-23-15-8-20(32-3)21(33-4)9-17(15)25-12-26-23/h5-10,12-13H,11H2,1-4H3,(H,27,31).
What are the key properties of N-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-3-fluorophenyl]-2-(4-propan-2-yltriazol-1-yl)acetamide?
N-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-3-fluorophenyl]-2-(4-propan-2-yltriazol-1-yl)acetamide has a molecular weight of 466.47 g/mol, XLogP of 3.93, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-3-fluorophenyl]-2-(4-propan-2-yltriazol-1-yl)acetamide is sourced from PubChem (CID 135368212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).