8-(2-methylbenzotriazol-5-yl)quinoline

C16H12N4 — CID 140989740

IUPAC8-(2-methylbenzotriazol-5-yl)quinoline
SMILESCn1nc2ccc(-c3cccc4cccnc34)cc2n1
InChIInChI=1S/C16H12N4/c1-20-18-14-8-7-12(10-15(14)19-20)13-6-2-4-11-5-3-9-17-16(11)13/h2-10H,1H3
InChIKeyRDRFJHTZSKPKLH-UHFFFAOYSA-N
MW260.30 g/mol
LogP3.18
Rot. Bonds1

About 8-(2-methylbenzotriazol-5-yl)quinoline

8-(2-methylbenzotriazol-5-yl)quinoline (PubChem CID 140989740) has the molecular formula C16H12N4 and a molecular weight of 260.30 g/mol. Its IUPAC name is 8-(2-methylbenzotriazol-5-yl)quinoline.

Molecular Properties

Compound Name8-(2-methylbenzotriazol-5-yl)quinoline
PubChem CID140989740
Molecular FormulaC16H12N4
Molecular Weight260.30 g/mol
Exact Mass260.11
IUPAC Name8-(2-methylbenzotriazol-5-yl)quinoline
SMILESCn1nc2ccc(-c3cccc4cccnc34)cc2n1
InChIInChI=1S/C16H12N4/c1-20-18-14-8-7-12(10-15(14)19-20)13-6-2-4-11-5-3-9-17-16(11)13/h2-10H,1H3
InChIKeyRDRFJHTZSKPKLH-UHFFFAOYSA-N
XLogP3.18
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

8-(3-quinolin-8-ylphenyl)quinoline
CID 90955641
8-(4-ethenyl-3-ethylphenyl)quinoline
CID 129042695
(6-quinolin-8-ylquinolin-2-yl)methanamine
CID 152669840
(1S)-1-(6-quinolin-8-yl-1H-benzimidazol-2-yl)ethanol
CID 95188258
2-chloro-4-quinolin-8-ylaniline
CID 107607720
2-chloro-5-quinolin-8-ylaniline
CID 81224974
2-fluoro-4-quinolin-8-ylaniline
CID 81224973
8-[3-(3-iodophenyl)phenyl]quinoline
CID 134445646
methyl 3-quinolin-8-ylbenzoate
CID 4189037
mercury;8-phenylquinoline;hydrate
CID 174770535
5-[3-(4-quinolin-8-ylphenyl)quinoxalin-2-yl]benzo[b]carbazole
CID 139361992
3-quinolin-8-ylbenzonitrile
CID 4189045

Frequently Asked Questions

What is the IUPAC name of 8-(2-methylbenzotriazol-5-yl)quinoline?
The IUPAC name of 8-(2-methylbenzotriazol-5-yl)quinoline (CID 140989740) is 8-(2-methylbenzotriazol-5-yl)quinoline.
What is the SMILES notation for 8-(2-methylbenzotriazol-5-yl)quinoline?
The canonical SMILES for 8-(2-methylbenzotriazol-5-yl)quinoline is Cn1nc2ccc(-c3cccc4cccnc34)cc2n1.
What is the InChIKey of 8-(2-methylbenzotriazol-5-yl)quinoline?
The InChIKey is RDRFJHTZSKPKLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4/c1-20-18-14-8-7-12(10-15(14)19-20)13-6-2-4-11-5-3-9-17-16(11)13/h2-10H,1H3.
What are the key properties of 8-(2-methylbenzotriazol-5-yl)quinoline?
8-(2-methylbenzotriazol-5-yl)quinoline has a molecular weight of 260.30 g/mol, XLogP of 3.18, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-methylbenzotriazol-5-yl)quinoline is sourced from PubChem (CID 140989740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).