7-butoxy-N-(4-fluorophenyl)-6-methoxy-1,2,3-benzotriazin-4-amine

C18H19FN4O2 — CID 67300948

IUPAC7-butoxy-N-(4-fluorophenyl)-6-methoxy-1,2,3-benzotriazin-4-amine
SMILESCCCCOc1cc2nnnc(Nc3ccc(F)cc3)c2cc1OC
InChIInChI=1S/C18H19FN4O2/c1-3-4-9-25-17-11-15-14(10-16(17)24-2)18(22-23-21-15)20-13-7-5-12(19)6-8-13/h5-8,10-11H,3-4,9H2,1-2H3,(H,20,21,22)
InChIKeyBZYLSMGBCGBCAM-UHFFFAOYSA-N
MW342.37 g/mol
LogP4.09
Rot. Bonds7

About 7-butoxy-N-(4-fluorophenyl)-6-methoxy-1,2,3-benzotriazin-4-amine

7-butoxy-N-(4-fluorophenyl)-6-methoxy-1,2,3-benzotriazin-4-amine (PubChem CID 67300948) has the molecular formula C18H19FN4O2 and a molecular weight of 342.37 g/mol. Its IUPAC name is 7-butoxy-N-(4-fluorophenyl)-6-methoxy-1,2,3-benzotriazin-4-amine.

Molecular Properties

Compound Name7-butoxy-N-(4-fluorophenyl)-6-methoxy-1,2,3-benzotriazin-4-amine
PubChem CID67300948
Molecular FormulaC18H19FN4O2
Molecular Weight342.37 g/mol
Exact Mass342.15
IUPAC Name7-butoxy-N-(4-fluorophenyl)-6-methoxy-1,2,3-benzotriazin-4-amine
SMILESCCCCOc1cc2nnnc(Nc3ccc(F)cc3)c2cc1OC
InChIInChI=1S/C18H19FN4O2/c1-3-4-9-25-17-11-15-14(10-16(17)24-2)18(22-23-21-15)20-13-7-5-12(19)6-8-13/h5-8,10-11H,3-4,9H2,1-2H3,(H,20,21,22)
InChIKeyBZYLSMGBCGBCAM-UHFFFAOYSA-N
XLogP4.09
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

7-butoxy-6-methoxy-N-phenyl-1,2,3-benzotriazin-4-amine
CID 25059452
7-(3-chloropropoxy)-N-(3,5-difluorophenyl)-6-methoxy-1,2,3-benzotriazin-4-amine
CID 67301345
N-(4-bromo-3-fluorophenyl)-7-ethoxy-6-methoxy-1,2,3-benzotriazin-4-amine
CID 67301488
N-(3-chloro-4-fluorophenyl)-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]-1,2,3-benzotriazin-4-amine;hydrochloride
CID 67301088
2-chloro-N-(4-fluorophenyl)-6,7-dimethoxyquinazolin-4-amine
CID 22692700
7-(1-chloropropoxy)-6-methoxy-N-(4-methylphenyl)-1,2,3-benzotriazin-4-amine
CID 67301092
N-[4-[(E)-2-(4-fluorophenyl)ethenyl]phenyl]-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
CID 71614729
N-(4-bromo-3-fluorophenyl)-7-(1-chloropropoxy)-6-methoxy-1,2,3-benzotriazin-4-amine
CID 67301405
6-methoxy-7-(3-piperidin-1-ylpropoxy)-N-[3-(trifluoromethoxy)phenyl]-1,2,3-benzotriazin-4-amine;hydrochloride
CID 67300974
N-(3-chloro-4-fluorophenyl)-7-methoxy-6-propoxyquinazolin-4-amine
CID 59772897
6-(3-aminopropoxy)-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine
CID 156814297
1-[4-[[7-(3-chloropropoxy)-6-methoxyquinazolin-4-yl]amino]phenyl]ethanone;ethane
CID 142929534

Frequently Asked Questions

What is the IUPAC name of 7-butoxy-N-(4-fluorophenyl)-6-methoxy-1,2,3-benzotriazin-4-amine?
The IUPAC name of 7-butoxy-N-(4-fluorophenyl)-6-methoxy-1,2,3-benzotriazin-4-amine (CID 67300948) is 7-butoxy-N-(4-fluorophenyl)-6-methoxy-1,2,3-benzotriazin-4-amine.
What is the SMILES notation for 7-butoxy-N-(4-fluorophenyl)-6-methoxy-1,2,3-benzotriazin-4-amine?
The canonical SMILES for 7-butoxy-N-(4-fluorophenyl)-6-methoxy-1,2,3-benzotriazin-4-amine is CCCCOc1cc2nnnc(Nc3ccc(F)cc3)c2cc1OC.
What is the InChIKey of 7-butoxy-N-(4-fluorophenyl)-6-methoxy-1,2,3-benzotriazin-4-amine?
The InChIKey is BZYLSMGBCGBCAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4O2/c1-3-4-9-25-17-11-15-14(10-16(17)24-2)18(22-23-21-15)20-13-7-5-12(19)6-8-13/h5-8,10-11H,3-4,9H2,1-2H3,(H,20,21,22).
What are the key properties of 7-butoxy-N-(4-fluorophenyl)-6-methoxy-1,2,3-benzotriazin-4-amine?
7-butoxy-N-(4-fluorophenyl)-6-methoxy-1,2,3-benzotriazin-4-amine has a molecular weight of 342.37 g/mol, XLogP of 4.09, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-butoxy-N-(4-fluorophenyl)-6-methoxy-1,2,3-benzotriazin-4-amine is sourced from PubChem (CID 67300948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).