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

C23H24N6O4 — CID 134814268

IUPACN-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-2-(4-propan-2-yltriazol-1-yl)acetamide
SMILESCOc1cc2ncnc(Oc3ccc(NC(=O)Cn4cc(C(C)C)nn4)cc3)c2cc1OC
InChIInChI=1S/C23H24N6O4/c1-14(2)19-11-29(28-27-19)12-22(30)26-15-5-7-16(8-6-15)33-23-17-9-20(31-3)21(32-4)10-18(17)24-13-25-23/h5-11,13-14H,12H2,1-4H3,(H,26,30)
InChIKeyVOSCKXNNVDOPMN-UHFFFAOYSA-N
MW448.48 g/mol
LogP3.79
Rot. Bonds8

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

N-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-2-(4-propan-2-yltriazol-1-yl)acetamide (PubChem CID 134814268) has the molecular formula C23H24N6O4 and a molecular weight of 448.48 g/mol. Its IUPAC name is N-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-2-(4-propan-2-yltriazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-2-(4-propan-2-yltriazol-1-yl)acetamide
PubChem CID134814268
Molecular FormulaC23H24N6O4
Molecular Weight448.48 g/mol
Exact Mass448.19
IUPAC NameN-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-2-(4-propan-2-yltriazol-1-yl)acetamide
SMILESCOc1cc2ncnc(Oc3ccc(NC(=O)Cn4cc(C(C)C)nn4)cc3)c2cc1OC
InChIInChI=1S/C23H24N6O4/c1-14(2)19-11-29(28-27-19)12-22(30)26-15-5-7-16(8-6-15)33-23-17-9-20(31-3)21(32-4)10-18(17)24-13-25-23/h5-11,13-14H,12H2,1-4H3,(H,26,30)
InChIKeyVOSCKXNNVDOPMN-UHFFFAOYSA-N
XLogP3.79
TPSA113.28 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.48
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

Zd-4190
CID 5329032
4-Aminopyrazole quinazoline, 6
CID 11249657
4-Aminopyrazole quinazoline, 5
CID 11330284
4-Aminopyrazole quinazoline, 3
CID 25138093
4-Aminopyrazole quinazoline, 4
CID 25138094
Ubavitinib
CID 134814269
2-(1H-imidazol-1-yl)-9-methoxy-8-(2-methoxyethoxy)benzo[c][2,7]naphthyridin-4-amine
CID 44176356
PDGF Receptor Tyrosine Kinase Inhibitor III
CID 10907042
9-Methoxy-8-(2-methoxyethoxy)-2-(4-methyl-1H-imidazol-1-yl)benzo[c]-2,7-naphthyridin-4-amine
CID 44236914
1-(6-(6,7-dimethoxyquinolin-4-yloxy)-1-methyl-1H-indazol-3-yl)-3-(4-methoxyphenyl)urea
CID 11225774
2-{4-[(6,7-Dimethoxyquinazolin-4-yl)amino]-1h-pyrazol-1-yl}-n-(3-fluorophenyl)acetamide
CID 57391179
N-(3-methoxyphenyl)-2-[4-(6,7-dimethoxyquinazolin-4-yloxy)phenyl]acetamide
CID 57396557

Frequently Asked Questions

What is the IUPAC name of N-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-2-(4-propan-2-yltriazol-1-yl)acetamide?
The IUPAC name of N-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-2-(4-propan-2-yltriazol-1-yl)acetamide (CID 134814268) is N-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-2-(4-propan-2-yltriazol-1-yl)acetamide.
What is the SMILES notation for N-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-2-(4-propan-2-yltriazol-1-yl)acetamide?
The canonical SMILES for N-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-2-(4-propan-2-yltriazol-1-yl)acetamide is COc1cc2ncnc(Oc3ccc(NC(=O)Cn4cc(C(C)C)nn4)cc3)c2cc1OC.
What is the InChIKey of N-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-2-(4-propan-2-yltriazol-1-yl)acetamide?
The InChIKey is VOSCKXNNVDOPMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O4/c1-14(2)19-11-29(28-27-19)12-22(30)26-15-5-7-16(8-6-15)33-23-17-9-20(31-3)21(32-4)10-18(17)24-13-25-23/h5-11,13-14H,12H2,1-4H3,(H,26,30).
What are the key properties of N-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-2-(4-propan-2-yltriazol-1-yl)acetamide?
N-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-2-(4-propan-2-yltriazol-1-yl)acetamide has a molecular weight of 448.48 g/mol, XLogP of 3.79, 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)oxyphenyl]-2-(4-propan-2-yltriazol-1-yl)acetamide is sourced from PubChem (CID 134814268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).