N-benzyl-3-(4-chlorophenyl)triazolo[1,5-a]quinazolin-5-amine

C22H16ClN5 — CID 20874438

IUPACN-benzyl-3-(4-chlorophenyl)triazolo[1,5-a]quinazolin-5-amine
SMILESClc1ccc(-c2nnn3c2nc(NCc2ccccc2)c2ccccc23)cc1
InChIInChI=1S/C22H16ClN5/c23-17-12-10-16(11-13-17)20-22-25-21(24-14-15-6-2-1-3-7-15)18-8-4-5-9-19(18)28(22)27-26-20/h1-13H,14H2,(H,24,25)
InChIKeyOQGCSBRAFXJECN-UHFFFAOYSA-N
MW385.86 g/mol
LogP5.21
Rot. Bonds4

About N-benzyl-3-(4-chlorophenyl)triazolo[1,5-a]quinazolin-5-amine

N-benzyl-3-(4-chlorophenyl)triazolo[1,5-a]quinazolin-5-amine (PubChem CID 20874438) has the molecular formula C22H16ClN5 and a molecular weight of 385.86 g/mol. Its IUPAC name is N-benzyl-3-(4-chlorophenyl)triazolo[1,5-a]quinazolin-5-amine.

Molecular Properties

Compound NameN-benzyl-3-(4-chlorophenyl)triazolo[1,5-a]quinazolin-5-amine
PubChem CID20874438
Molecular FormulaC22H16ClN5
Molecular Weight385.86 g/mol
Exact Mass385.11
IUPAC NameN-benzyl-3-(4-chlorophenyl)triazolo[1,5-a]quinazolin-5-amine
SMILESClc1ccc(-c2nnn3c2nc(NCc2ccccc2)c2ccccc23)cc1
InChIInChI=1S/C22H16ClN5/c23-17-12-10-16(11-13-17)20-22-25-21(24-14-15-6-2-1-3-7-15)18-8-4-5-9-19(18)28(22)27-26-20/h1-13H,14H2,(H,24,25)
InChIKeyOQGCSBRAFXJECN-UHFFFAOYSA-N
XLogP5.21
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.86
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(2-Chlorophenyl)benzo[4,5]imidazo[1,2-c]-quinazoline
CID 630151
2-(4-chlorophenyl)-3H-imidazo[4,5-c]quinoline
CID 10540663
N-(2-aminoethyl)-2-[(E)-2-(4-chlorophenyl)ethenyl]-6-methylquinazolin-4-amine
CID 25190632
6-(4-chlorophenyl)-2-methyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine
CID 10618696
(3-{[2-(4-Chlorophenyl)quinazolin-4-yl]amino}propyl)diethylamine
CID 1591101
N-(6-aminohexyl)-2-[(E)-2-(4-chlorophenyl)ethenyl]quinazolin-4-amine
CID 12084393
(1S,2S)-1-N-{2-[(E)-2-(4-chlorophenyl)ethenyl]-6-methylquinazolin-4-yl}cyclohexane-1,2-diamine
CID 25190633
(1S,2R)-1-N-{2-[(E)-2-(4-chlorophenyl)ethenyl]-6-methylquinazolin-4-yl}cyclohexane-1,2-diamine
CID 25190634
4-Aminoquinazoline derivative, (rac)-9c
CID 25190635
N'-[2-(4-Chloro-phenyl)-quinazolin-4-yl]-N,N-dimethyl-propane-1,3-diamine
CID 1591099
N-(2-chlorobenzyl)-3-(phenylsulfonyl)[1,2,3]triazolo[1,5-a]quinazolin-5-amine
CID 20878435
N-{2-[(3-phenyl[1,2,3]triazolo[1,5-a]quinazolin-5-yl)amino]ethyl}acetamide
CID 6619965

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(4-chlorophenyl)triazolo[1,5-a]quinazolin-5-amine?
The IUPAC name of N-benzyl-3-(4-chlorophenyl)triazolo[1,5-a]quinazolin-5-amine (CID 20874438) is N-benzyl-3-(4-chlorophenyl)triazolo[1,5-a]quinazolin-5-amine.
What is the SMILES notation for N-benzyl-3-(4-chlorophenyl)triazolo[1,5-a]quinazolin-5-amine?
The canonical SMILES for N-benzyl-3-(4-chlorophenyl)triazolo[1,5-a]quinazolin-5-amine is Clc1ccc(-c2nnn3c2nc(NCc2ccccc2)c2ccccc23)cc1.
What is the InChIKey of N-benzyl-3-(4-chlorophenyl)triazolo[1,5-a]quinazolin-5-amine?
The InChIKey is OQGCSBRAFXJECN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClN5/c23-17-12-10-16(11-13-17)20-22-25-21(24-14-15-6-2-1-3-7-15)18-8-4-5-9-19(18)28(22)27-26-20/h1-13H,14H2,(H,24,25).
What are the key properties of N-benzyl-3-(4-chlorophenyl)triazolo[1,5-a]quinazolin-5-amine?
N-benzyl-3-(4-chlorophenyl)triazolo[1,5-a]quinazolin-5-amine has a molecular weight of 385.86 g/mol, XLogP of 5.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(4-chlorophenyl)triazolo[1,5-a]quinazolin-5-amine is sourced from PubChem (CID 20874438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).