2H-benzotriazol-5-yl-(4-quinazolin-4-ylpiperazin-1-yl)methanone

C19H17N7O — CID 56903524

IUPAC2H-benzotriazol-5-yl-(4-quinazolin-4-ylpiperazin-1-yl)methanone
SMILESO=C(c1ccc2n[nH]nc2c1)N1CCN(c2ncnc3ccccc23)CC1
InChIInChI=1S/C19H17N7O/c27-19(13-5-6-16-17(11-13)23-24-22-16)26-9-7-25(8-10-26)18-14-3-1-2-4-15(14)20-12-21-18/h1-6,11-12H,7-10H2,(H,22,23,24)
InChIKeyHUGZJVZJDFQQAX-UHFFFAOYSA-N
MW359.39 g/mol
LogP1.86
Rot. Bonds2

About 2H-benzotriazol-5-yl-(4-quinazolin-4-ylpiperazin-1-yl)methanone

2H-benzotriazol-5-yl-(4-quinazolin-4-ylpiperazin-1-yl)methanone (PubChem CID 56903524) has the molecular formula C19H17N7O and a molecular weight of 359.39 g/mol. Its IUPAC name is 2H-benzotriazol-5-yl-(4-quinazolin-4-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name2H-benzotriazol-5-yl-(4-quinazolin-4-ylpiperazin-1-yl)methanone
PubChem CID56903524
Molecular FormulaC19H17N7O
Molecular Weight359.39 g/mol
Exact Mass359.15
IUPAC Name2H-benzotriazol-5-yl-(4-quinazolin-4-ylpiperazin-1-yl)methanone
SMILESO=C(c1ccc2n[nH]nc2c1)N1CCN(c2ncnc3ccccc23)CC1
InChIInChI=1S/C19H17N7O/c27-19(13-5-6-16-17(11-13)23-24-22-16)26-9-7-25(8-10-26)18-14-3-1-2-4-15(14)20-12-21-18/h1-6,11-12H,7-10H2,(H,22,23,24)
InChIKeyHUGZJVZJDFQQAX-UHFFFAOYSA-N
XLogP1.86
TPSA90.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2H-benzotriazol-5-yl-(4-quinazolin-4-ylpiperazin-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-amino-1,3-benzothiazol-5-yl)-(4-quinazolin-4-ylpiperazin-1-yl)methanone
CID 29105738
piperidin-1-yl-(4-pyrrolidin-1-ylquinazolin-6-yl)methanone
CID 71842473
1-benzofuran-2-yl-(4-quinazolin-4-ylpiperazin-1-yl)methanone
CID 32884666
(2-methoxyphenyl)-(4-quinazolin-4-ylpiperazin-1-yl)methanone
CID 32880632
[4-(4-chlorophenyl)piperazin-1-yl]-(4-pyrrolidin-1-ylquinazolin-6-yl)methanone
CID 71842499
3-(4-quinazolin-4-ylpiperazine-1-carbonyl)-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one
CID 56911668
(2,5-dimethyl-1,3-oxazol-4-yl)-(4-quinazolin-4-ylpiperazin-1-yl)methanone
CID 70785001
[4-(7-chloroquinazolin-4-yl)piperazin-1-yl]-(3-methylsulfonylphenyl)methanone
CID 133314829
3-methylsulfonyl-1-(4-quinazolin-4-ylpiperazin-1-yl)propan-1-one
CID 131930952
2,2-dimethyl-1-(4-quinazolin-4-yl-1,4-diazepan-1-yl)propan-1-one
CID 171335913
[2-amino-6-(2-methylpropyl)pyrimidin-4-yl]-(4-quinazolin-4-ylpiperazin-1-yl)methanone
CID 131919946
[4-(2H-benzotriazole-5-carbonyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 37092246

Frequently Asked Questions

What is the IUPAC name of 2H-benzotriazol-5-yl-(4-quinazolin-4-ylpiperazin-1-yl)methanone?
The IUPAC name of 2H-benzotriazol-5-yl-(4-quinazolin-4-ylpiperazin-1-yl)methanone (CID 56903524) is 2H-benzotriazol-5-yl-(4-quinazolin-4-ylpiperazin-1-yl)methanone.
What is the SMILES notation for 2H-benzotriazol-5-yl-(4-quinazolin-4-ylpiperazin-1-yl)methanone?
The canonical SMILES for 2H-benzotriazol-5-yl-(4-quinazolin-4-ylpiperazin-1-yl)methanone is O=C(c1ccc2n[nH]nc2c1)N1CCN(c2ncnc3ccccc23)CC1.
What is the InChIKey of 2H-benzotriazol-5-yl-(4-quinazolin-4-ylpiperazin-1-yl)methanone?
The InChIKey is HUGZJVZJDFQQAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N7O/c27-19(13-5-6-16-17(11-13)23-24-22-16)26-9-7-25(8-10-26)18-14-3-1-2-4-15(14)20-12-21-18/h1-6,11-12H,7-10H2,(H,22,23,24).
What are the key properties of 2H-benzotriazol-5-yl-(4-quinazolin-4-ylpiperazin-1-yl)methanone?
2H-benzotriazol-5-yl-(4-quinazolin-4-ylpiperazin-1-yl)methanone has a molecular weight of 359.39 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-benzotriazol-5-yl-(4-quinazolin-4-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 56903524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).