4-(benzotriazol-1-yl)-2-phenylquinazoline

C20H13N5 — CID 2455828

IUPAC4-(benzotriazol-1-yl)-2-phenylquinazoline
SMILESc1ccc(-c2nc(-n3nnc4ccccc43)c3ccccc3n2)cc1
InChIInChI=1S/C20H13N5/c1-2-8-14(9-3-1)19-21-16-11-5-4-10-15(16)20(22-19)25-18-13-7-6-12-17(18)23-24-25/h1-13H
InChIKeyBFOGBUXLNOKFAD-UHFFFAOYSA-N
MW323.36 g/mol
LogP4.03
Rot. Bonds2

About 4-(benzotriazol-1-yl)-2-phenylquinazoline

4-(benzotriazol-1-yl)-2-phenylquinazoline (PubChem CID 2455828) has the molecular formula C20H13N5 and a molecular weight of 323.36 g/mol. Its IUPAC name is 4-(benzotriazol-1-yl)-2-phenylquinazoline.

Molecular Properties

Compound Name4-(benzotriazol-1-yl)-2-phenylquinazoline
PubChem CID2455828
Molecular FormulaC20H13N5
Molecular Weight323.36 g/mol
Exact Mass323.12
IUPAC Name4-(benzotriazol-1-yl)-2-phenylquinazoline
SMILESc1ccc(-c2nc(-n3nnc4ccccc43)c3ccccc3n2)cc1
InChIInChI=1S/C20H13N5/c1-2-8-14(9-3-1)19-21-16-11-5-4-10-15(16)20(22-19)25-18-13-7-6-12-17(18)23-24-25/h1-13H
InChIKeyBFOGBUXLNOKFAD-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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Related Compounds

1-[3-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]benzotriazole
CID 134534591
1-(10-phenylanthracen-9-yl)benzotriazole
CID 87098242
1-(1H-indazol-3-yl)benzotriazole
CID 45104174
1-[4-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]benzotriazole
CID 121258116
5-[2-(4-phenylphenyl)quinazolin-4-yl]pyrido[3,2-b]indole
CID 163513367
5-(2-phenylquinazolin-4-yl)benzimidazolo[1,2-a]quinoxalin-6-one
CID 146639211
4-(benzotriazol-1-yl)-8-fluoro-2-(trifluoromethyl)quinazoline
CID 110435831
20-(2-phenylquinazolin-4-yl)-20,22-diazahexacyclo[10.9.1.02,7.08,22.013,21.014,19]docosa-1(21),2,4,6,8,10,14,16,18-nonaene
CID 146630877
1-[4-[5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-2-yl]phenyl]benzotriazole;1-[4-[5-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]naphthalen-2-yl]phenyl]benzotriazole
CID 159508999
4-(benzotriazol-1-yl)quinoline-3-carbonitrile
CID 43669171
4-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-2-phenylquinazoline
CID 126579137
1-(3,5,6-trifluoro-2-pyridinyl)benzotriazole
CID 114072752

Frequently Asked Questions

What is the IUPAC name of 4-(benzotriazol-1-yl)-2-phenylquinazoline?
The IUPAC name of 4-(benzotriazol-1-yl)-2-phenylquinazoline (CID 2455828) is 4-(benzotriazol-1-yl)-2-phenylquinazoline.
What is the SMILES notation for 4-(benzotriazol-1-yl)-2-phenylquinazoline?
The canonical SMILES for 4-(benzotriazol-1-yl)-2-phenylquinazoline is c1ccc(-c2nc(-n3nnc4ccccc43)c3ccccc3n2)cc1.
What is the InChIKey of 4-(benzotriazol-1-yl)-2-phenylquinazoline?
The InChIKey is BFOGBUXLNOKFAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13N5/c1-2-8-14(9-3-1)19-21-16-11-5-4-10-15(16)20(22-19)25-18-13-7-6-12-17(18)23-24-25/h1-13H.
What are the key properties of 4-(benzotriazol-1-yl)-2-phenylquinazoline?
4-(benzotriazol-1-yl)-2-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 4-(benzotriazol-1-yl)-2-phenylquinazoline is sourced from PubChem (CID 2455828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).