4-(benzotriazol-1-yl)-6-methoxy-2-methylquinoline

C17H14N4O — CID 110435993

IUPAC4-(benzotriazol-1-yl)-6-methoxy-2-methylquinoline
SMILESCOc1ccc2nc(C)cc(-n3nnc4ccccc43)c2c1
InChIInChI=1S/C17H14N4O/c1-11-9-17(13-10-12(22-2)7-8-14(13)18-11)21-16-6-4-3-5-15(16)19-20-21/h3-10H,1-2H3
InChIKeyNHFVBGKWAKUUDD-UHFFFAOYSA-N
MW290.33 g/mol
LogP3.29
Rot. Bonds2

About 4-(benzotriazol-1-yl)-6-methoxy-2-methylquinoline

4-(benzotriazol-1-yl)-6-methoxy-2-methylquinoline (PubChem CID 110435993) has the molecular formula C17H14N4O and a molecular weight of 290.33 g/mol. Its IUPAC name is 4-(benzotriazol-1-yl)-6-methoxy-2-methylquinoline.

Molecular Properties

Compound Name4-(benzotriazol-1-yl)-6-methoxy-2-methylquinoline
PubChem CID110435993
Molecular FormulaC17H14N4O
Molecular Weight290.33 g/mol
Exact Mass290.12
IUPAC Name4-(benzotriazol-1-yl)-6-methoxy-2-methylquinoline
SMILESCOc1ccc2nc(C)cc(-n3nnc4ccccc43)c2c1
InChIInChI=1S/C17H14N4O/c1-11-9-17(13-10-12(22-2)7-8-14(13)18-11)21-16-6-4-3-5-15(16)19-20-21/h3-10H,1-2H3
InChIKeyNHFVBGKWAKUUDD-UHFFFAOYSA-N
XLogP3.29
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-methoxy-1H-indazol-3-yl)benzotriazole
CID 45104175
1-(2-methoxyphenyl)benzotriazole
CID 53415460
4-(benzotriazol-1-yl)-2,6-dimethylpyridine-3-carboxylic acid
CID 81053311
6-methoxy-2-methyl-4-phenylquinoline
CID 12787220
ethane;6-methoxy-2,4-dimethylquinoline
CID 143681558
2-(benzotriazol-1-yl)-4,5-dimethoxybenzaldehyde
CID 155936683
9-methoxy-5-methylindolo[2,3-b]quinoxaline
CID 3983680
1-(3,4,5-trimethoxyphenyl)benzotriazole
CID 175194463
2-[1-(6-methoxy-2-methylquinolin-4-yl)pyrrolidin-2-yl]-1,3-benzothiazole
CID 4846867
ethyl 2-(5-methoxybenzotriazol-1-yl)benzoate
CID 102097625
6-methoxy-2-methyl-4-(4-methylphenyl)quinoline
CID 101221850
[2-(benzotriazol-1-yl)-4-methylphenyl]phosphane
CID 170034052

Frequently Asked Questions

What is the IUPAC name of 4-(benzotriazol-1-yl)-6-methoxy-2-methylquinoline?
The IUPAC name of 4-(benzotriazol-1-yl)-6-methoxy-2-methylquinoline (CID 110435993) is 4-(benzotriazol-1-yl)-6-methoxy-2-methylquinoline.
What is the SMILES notation for 4-(benzotriazol-1-yl)-6-methoxy-2-methylquinoline?
The canonical SMILES for 4-(benzotriazol-1-yl)-6-methoxy-2-methylquinoline is COc1ccc2nc(C)cc(-n3nnc4ccccc43)c2c1.
What is the InChIKey of 4-(benzotriazol-1-yl)-6-methoxy-2-methylquinoline?
The InChIKey is NHFVBGKWAKUUDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O/c1-11-9-17(13-10-12(22-2)7-8-14(13)18-11)21-16-6-4-3-5-15(16)19-20-21/h3-10H,1-2H3.
What are the key properties of 4-(benzotriazol-1-yl)-6-methoxy-2-methylquinoline?
4-(benzotriazol-1-yl)-6-methoxy-2-methylquinoline has a molecular weight of 290.33 g/mol, XLogP of 3.29, 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)-6-methoxy-2-methylquinoline is sourced from PubChem (CID 110435993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).