2-(benzotriazol-2-yl)-4-phenylquinazoline

C20H13N5 — CID 950700

IUPAC2-(benzotriazol-2-yl)-4-phenylquinazoline
SMILESc1ccc(-c2nc(-n3nc4ccccc4n3)nc3ccccc23)cc1
InChIInChI=1S/C20H13N5/c1-2-8-14(9-3-1)19-15-10-4-5-11-16(15)21-20(22-19)25-23-17-12-6-7-13-18(17)24-25/h1-13H
InChIKeyFUEKKKRYEHFNRK-UHFFFAOYSA-N
MW323.36 g/mol
LogP4.03
Rot. Bonds2

About 2-(benzotriazol-2-yl)-4-phenylquinazoline

2-(benzotriazol-2-yl)-4-phenylquinazoline (PubChem CID 950700) has the molecular formula C20H13N5 and a molecular weight of 323.36 g/mol. Its IUPAC name is 2-(benzotriazol-2-yl)-4-phenylquinazoline.

Molecular Properties

Compound Name2-(benzotriazol-2-yl)-4-phenylquinazoline
PubChem CID950700
Molecular FormulaC20H13N5
Molecular Weight323.36 g/mol
Exact Mass323.12
IUPAC Name2-(benzotriazol-2-yl)-4-phenylquinazoline
SMILESc1ccc(-c2nc(-n3nc4ccccc4n3)nc3ccccc23)cc1
InChIInChI=1S/C20H13N5/c1-2-8-14(9-3-1)19-15-10-4-5-11-16(15)21-20(22-19)25-23-17-12-6-7-13-18(17)24-25/h1-13H
InChIKeyFUEKKKRYEHFNRK-UHFFFAOYSA-N
XLogP4.03
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-2-yl)-4-phenylquinazoline?
The IUPAC name of 2-(benzotriazol-2-yl)-4-phenylquinazoline (CID 950700) is 2-(benzotriazol-2-yl)-4-phenylquinazoline.
What is the SMILES notation for 2-(benzotriazol-2-yl)-4-phenylquinazoline?
The canonical SMILES for 2-(benzotriazol-2-yl)-4-phenylquinazoline is c1ccc(-c2nc(-n3nc4ccccc4n3)nc3ccccc23)cc1.
What is the InChIKey of 2-(benzotriazol-2-yl)-4-phenylquinazoline?
The InChIKey is FUEKKKRYEHFNRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13N5/c1-2-8-14(9-3-1)19-15-10-4-5-11-16(15)21-20(22-19)25-23-17-12-6-7-13-18(17)24-25/h1-13H.
What are the key properties of 2-(benzotriazol-2-yl)-4-phenylquinazoline?
2-(benzotriazol-2-yl)-4-phenylquinazoline has a molecular weight of 323.36 g/mol, XLogP of 4.03, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-2-yl)-4-phenylquinazoline is sourced from PubChem (CID 950700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).