N-[4-[[5-ethoxy-7-(oxan-4-yloxy)quinazolin-4-yl]amino]phenyl]-2-(4-propan-2-yltriazol-1-yl)acetamide

C28H33N7O4 — CID 135367214

IUPACN-[4-[[5-ethoxy-7-(oxan-4-yloxy)quinazolin-4-yl]amino]phenyl]-2-(4-propan-2-yltriazol-1-yl)acetamide
SMILESCCOc1cc(OC2CCOCC2)cc2ncnc(Nc3ccc(NC(=O)Cn4cc(C(C)C)nn4)cc3)c12
InChIInChI=1S/C28H33N7O4/c1-4-38-25-14-22(39-21-9-11-37-12-10-21)13-23-27(25)28(30-17-29-23)32-20-7-5-19(6-8-20)31-26(36)16-35-15-24(18(2)3)33-34-35/h5-8,13-15,17-18,21H,4,9-12,16H2,1-3H3,(H,31,36)(H,29,30,32)
InChIKeyIIKVGFPGSYHKNK-UHFFFAOYSA-N
MW531.62 g/mol
LogP4.68
Rot. Bonds10

About N-[4-[[5-ethoxy-7-(oxan-4-yloxy)quinazolin-4-yl]amino]phenyl]-2-(4-propan-2-yltriazol-1-yl)acetamide

N-[4-[[5-ethoxy-7-(oxan-4-yloxy)quinazolin-4-yl]amino]phenyl]-2-(4-propan-2-yltriazol-1-yl)acetamide (PubChem CID 135367214) has the molecular formula C28H33N7O4 and a molecular weight of 531.62 g/mol. Its IUPAC name is N-[4-[[5-ethoxy-7-(oxan-4-yloxy)quinazolin-4-yl]amino]phenyl]-2-(4-propan-2-yltriazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[4-[[5-ethoxy-7-(oxan-4-yloxy)quinazolin-4-yl]amino]phenyl]-2-(4-propan-2-yltriazol-1-yl)acetamide
PubChem CID135367214
Molecular FormulaC28H33N7O4
Molecular Weight531.62 g/mol
Exact Mass531.26
IUPAC NameN-[4-[[5-ethoxy-7-(oxan-4-yloxy)quinazolin-4-yl]amino]phenyl]-2-(4-propan-2-yltriazol-1-yl)acetamide
SMILESCCOc1cc(OC2CCOCC2)cc2ncnc(Nc3ccc(NC(=O)Cn4cc(C(C)C)nn4)cc3)c12
InChIInChI=1S/C28H33N7O4/c1-4-38-25-14-22(39-21-9-11-37-12-10-21)13-23-27(25)28(30-17-29-23)32-20-7-5-19(6-8-20)31-26(36)16-35-15-24(18(2)3)33-34-35/h5-8,13-15,17-18,21H,4,9-12,16H2,1-3H3,(H,31,36)(H,29,30,32)
InChIKeyIIKVGFPGSYHKNK-UHFFFAOYSA-N
XLogP4.68
TPSA125.31 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500531.62
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Related Compounds

N-[4-[[5-ethoxy-7-(2-methoxyethoxy)quinazolin-4-yl]amino]phenyl]-2-(4-propan-2-yltriazol-1-yl)acetamide
CID 135367784
N-[4-[(7-fluoro-5-methoxyquinazolin-4-yl)amino]phenyl]-2-(4-propan-2-yltriazol-1-yl)acetamide
CID 135367200
N-[4-[[5-methoxy-7-(oxolan-3-yloxy)quinazolin-4-yl]amino]phenyl]acetamide
CID 175880878
N-[4-[[5-fluoro-7-(2-methoxyethoxy)quinazolin-4-yl]amino]phenyl]-2-(4-propan-2-yltriazol-1-yl)acetamide;4-methylbenzenesulfonic acid
CID 135367697
1-[4-[[7-[2-(dimethylamino)ethoxy]-5-methoxyquinazolin-4-yl]amino]phenyl]-3-(4-propan-2-yltriazol-1-yl)propan-2-one
CID 161491333
2-[amino-[(Z)-2-amino-3-methylbut-1-enyl]amino]-N-[4-[[5-hydroxy-7-[(3S)-oxolan-3-yl]oxyquinazolin-4-yl]amino]phenyl]acetamide
CID 163966622
2-[4-(1-hydroxyethyl)triazol-1-yl]-N-(4-methoxyphenyl)acetamide
CID 80742697
N-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-3-fluorophenyl]-2-(4-propan-2-yltriazol-1-yl)acetamide
CID 135368212
N-(2,3-difluorophenyl)-2-[4-[[7-ethoxy-5-[[(2R)-1-iodopyrrolidin-2-yl]methoxy]quinazolin-4-yl]amino]pyrazol-1-yl]acetamide
CID 163945462
[4-(2,4-dichloro-5-methoxyanilino)-5-(oxan-4-yloxy)quinazolin-7-yl] acetate
CID 22140824
N-(2,3-difluorophenyl)-2-[4-[[7-ethoxy-5-[[(2R)-piperidin-2-yl]methoxy]quinazolin-4-yl]amino]pyrazol-1-yl]acetamide
CID 16654974
2-[4-[3-[4-(3-chloro-4-fluoroanilino)-5-(oxolan-3-yloxy)quinazolin-7-yl]oxypropyl]piperazin-1-yl]-N,N-dimethylacetamide
CID 10167293

Frequently Asked Questions

What is the IUPAC name of N-[4-[[5-ethoxy-7-(oxan-4-yloxy)quinazolin-4-yl]amino]phenyl]-2-(4-propan-2-yltriazol-1-yl)acetamide?
The IUPAC name of N-[4-[[5-ethoxy-7-(oxan-4-yloxy)quinazolin-4-yl]amino]phenyl]-2-(4-propan-2-yltriazol-1-yl)acetamide (CID 135367214) is N-[4-[[5-ethoxy-7-(oxan-4-yloxy)quinazolin-4-yl]amino]phenyl]-2-(4-propan-2-yltriazol-1-yl)acetamide.
What is the SMILES notation for N-[4-[[5-ethoxy-7-(oxan-4-yloxy)quinazolin-4-yl]amino]phenyl]-2-(4-propan-2-yltriazol-1-yl)acetamide?
The canonical SMILES for N-[4-[[5-ethoxy-7-(oxan-4-yloxy)quinazolin-4-yl]amino]phenyl]-2-(4-propan-2-yltriazol-1-yl)acetamide is CCOc1cc(OC2CCOCC2)cc2ncnc(Nc3ccc(NC(=O)Cn4cc(C(C)C)nn4)cc3)c12.
What is the InChIKey of N-[4-[[5-ethoxy-7-(oxan-4-yloxy)quinazolin-4-yl]amino]phenyl]-2-(4-propan-2-yltriazol-1-yl)acetamide?
The InChIKey is IIKVGFPGSYHKNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N7O4/c1-4-38-25-14-22(39-21-9-11-37-12-10-21)13-23-27(25)28(30-17-29-23)32-20-7-5-19(6-8-20)31-26(36)16-35-15-24(18(2)3)33-34-35/h5-8,13-15,17-18,21H,4,9-12,16H2,1-3H3,(H,31,36)(H,29,30,32).
What are the key properties of N-[4-[[5-ethoxy-7-(oxan-4-yloxy)quinazolin-4-yl]amino]phenyl]-2-(4-propan-2-yltriazol-1-yl)acetamide?
N-[4-[[5-ethoxy-7-(oxan-4-yloxy)quinazolin-4-yl]amino]phenyl]-2-(4-propan-2-yltriazol-1-yl)acetamide has a molecular weight of 531.62 g/mol, XLogP of 4.68, 10 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[5-ethoxy-7-(oxan-4-yloxy)quinazolin-4-yl]amino]phenyl]-2-(4-propan-2-yltriazol-1-yl)acetamide is sourced from PubChem (CID 135367214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).