1-benzyl-4-(2-methylphenyl)triazolo[4,5-c]quinoline

C23H18N4 — CID 102583421

IUPAC1-benzyl-4-(2-methylphenyl)triazolo[4,5-c]quinoline
SMILESCc1ccccc1-c1nc2ccccc2c2c1nnn2Cc1ccccc1
InChIInChI=1S/C23H18N4/c1-16-9-5-6-12-18(16)21-22-23(19-13-7-8-14-20(19)24-21)27(26-25-22)15-17-10-3-2-4-11-17/h2-14H,15H2,1H3
InChIKeyZICQNQOLXVFKHC-UHFFFAOYSA-N
MW350.43 g/mol
LogP5.00
Rot. Bonds3

About 1-benzyl-4-(2-methylphenyl)triazolo[4,5-c]quinoline

1-benzyl-4-(2-methylphenyl)triazolo[4,5-c]quinoline (PubChem CID 102583421) has the molecular formula C23H18N4 and a molecular weight of 350.43 g/mol. Its IUPAC name is 1-benzyl-4-(2-methylphenyl)triazolo[4,5-c]quinoline.

Molecular Properties

Compound Name1-benzyl-4-(2-methylphenyl)triazolo[4,5-c]quinoline
PubChem CID102583421
Molecular FormulaC23H18N4
Molecular Weight350.43 g/mol
Exact Mass350.15
IUPAC Name1-benzyl-4-(2-methylphenyl)triazolo[4,5-c]quinoline
SMILESCc1ccccc1-c1nc2ccccc2c2c1nnn2Cc1ccccc1
InChIInChI=1S/C23H18N4/c1-16-9-5-6-12-18(16)21-22-23(19-13-7-8-14-20(19)24-21)27(26-25-22)15-17-10-3-2-4-11-17/h2-14H,15H2,1H3
InChIKeyZICQNQOLXVFKHC-UHFFFAOYSA-N
XLogP5.00
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.43
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-7-(2-methylphenyl)benzotriazole
CID 177481285
1-benzyl-5-(2-methylphenyl)-4-phenyltriazole
CID 101446629
1-benzyl-4-butyl-5-(2-methylphenyl)triazole
CID 102474944
1-benzyl-5-naphthalen-1-yl-4-phenyltriazole
CID 102474946
1-benzyl-5-ethyltriazolo[4,5-c]quinolin-4-one
CID 132516535
[1-benzyl-5-(2-methylphenyl)triazol-4-yl]-tributylstannane
CID 68990322
2-methyl-4-(2-methylphenyl)quinazoline
CID 149330583
N-[1-benzyl-3-(2-methylphenyl)pyrazol-5-yl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
CID 47076292
1-[5-[1-benzyl-5-(2-methylphenyl)triazol-4-yl]-3-methylindazol-1-yl]ethanone
CID 68720647
3-benzyl-7-methyl-4-(4-phenylpiperazin-1-yl)triazolo[4,5-d]pyridazine
CID 23606914
3,5-dibenzyl-6H-triazolo[4,5-d]pyrimidin-7-one
CID 135413815
4-benzyl-3-(2-methylphenyl)-5-(4-phenylphenyl)-1,2,4-triazole
CID 4985670

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(2-methylphenyl)triazolo[4,5-c]quinoline?
The IUPAC name of 1-benzyl-4-(2-methylphenyl)triazolo[4,5-c]quinoline (CID 102583421) is 1-benzyl-4-(2-methylphenyl)triazolo[4,5-c]quinoline.
What is the SMILES notation for 1-benzyl-4-(2-methylphenyl)triazolo[4,5-c]quinoline?
The canonical SMILES for 1-benzyl-4-(2-methylphenyl)triazolo[4,5-c]quinoline is Cc1ccccc1-c1nc2ccccc2c2c1nnn2Cc1ccccc1.
What is the InChIKey of 1-benzyl-4-(2-methylphenyl)triazolo[4,5-c]quinoline?
The InChIKey is ZICQNQOLXVFKHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4/c1-16-9-5-6-12-18(16)21-22-23(19-13-7-8-14-20(19)24-21)27(26-25-22)15-17-10-3-2-4-11-17/h2-14H,15H2,1H3.
What are the key properties of 1-benzyl-4-(2-methylphenyl)triazolo[4,5-c]quinoline?
1-benzyl-4-(2-methylphenyl)triazolo[4,5-c]quinoline has a molecular weight of 350.43 g/mol, XLogP of 5.00, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(2-methylphenyl)triazolo[4,5-c]quinoline is sourced from PubChem (CID 102583421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).