[4-(3,4-dihydro-2H-1,8-naphthyridin-1-yl)-2-fluorophenyl]-methyldiazene

C15H15FN4 — CID 166887258

IUPAC[4-(3,4-dihydro-2H-1,8-naphthyridin-1-yl)-2-fluorophenyl]-methyldiazene
SMILESC/N=N/c1ccc(N2CCCc3cccnc32)cc1F
InChIInChI=1S/C15H15FN4/c1-17-19-14-7-6-12(10-13(14)16)20-9-3-5-11-4-2-8-18-15(11)20/h2,4,6-8,10H,3,5,9H2,1H3/b19-17+
InChIKeyZHLOWZABOOAEAY-HTXNQAPBSA-N
MW270.31 g/mol
LogP4.02
Rot. Bonds2

About [4-(3,4-dihydro-2H-1,8-naphthyridin-1-yl)-2-fluorophenyl]-methyldiazene

[4-(3,4-dihydro-2H-1,8-naphthyridin-1-yl)-2-fluorophenyl]-methyldiazene (PubChem CID 166887258) has the molecular formula C15H15FN4 and a molecular weight of 270.31 g/mol. Its IUPAC name is [4-(3,4-dihydro-2H-1,8-naphthyridin-1-yl)-2-fluorophenyl]-methyldiazene.

Molecular Properties

Compound Name[4-(3,4-dihydro-2H-1,8-naphthyridin-1-yl)-2-fluorophenyl]-methyldiazene
PubChem CID166887258
Molecular FormulaC15H15FN4
Molecular Weight270.31 g/mol
Exact Mass270.13
IUPAC Name[4-(3,4-dihydro-2H-1,8-naphthyridin-1-yl)-2-fluorophenyl]-methyldiazene
SMILESC/N=N/c1ccc(N2CCCc3cccnc32)cc1F
InChIInChI=1S/C15H15FN4/c1-17-19-14-7-6-12(10-13(14)16)20-9-3-5-11-4-2-8-18-15(11)20/h2,4,6-8,10H,3,5,9H2,1H3/b19-17+
InChIKeyZHLOWZABOOAEAY-HTXNQAPBSA-N
XLogP4.02
TPSA40.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

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CID 5587
Pyridine-2-azo-p-dimethylaniline
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N,N-dimethyl-4-[(E)-(4-pyridin-2-ylpiperazin-1-yl)iminomethyl]aniline
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1-(3-Phenylpropyl)-4-pyridin-2-ylpiperazine
CID 667735
2-(Pyridin-2-yl)-1,2,3,4-tetrahydroisoquinoline
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1,2,3,4-Tetrahydro-1,8-naphthyridine
CID 13047367
1-Benzyl-4-(3-(trifluoromethyl)-pyridin-2-yl)piperazine
CID 44237013
1-(4-Phenyl-cyclohex-3-enyl)-4-pyridin-2-yl-piperazine
CID 15079635
Dimethyl{4-[(2-pyridylamino)methyl]phenyl}amine
CID 975588
1-(3-Phenylbutyl)-4-pyridin-2-ylpiperazine
CID 2845974
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CID 6861869

Frequently Asked Questions

What is the IUPAC name of [4-(3,4-dihydro-2H-1,8-naphthyridin-1-yl)-2-fluorophenyl]-methyldiazene?
The IUPAC name of [4-(3,4-dihydro-2H-1,8-naphthyridin-1-yl)-2-fluorophenyl]-methyldiazene (CID 166887258) is [4-(3,4-dihydro-2H-1,8-naphthyridin-1-yl)-2-fluorophenyl]-methyldiazene.
What is the SMILES notation for [4-(3,4-dihydro-2H-1,8-naphthyridin-1-yl)-2-fluorophenyl]-methyldiazene?
The canonical SMILES for [4-(3,4-dihydro-2H-1,8-naphthyridin-1-yl)-2-fluorophenyl]-methyldiazene is C/N=N/c1ccc(N2CCCc3cccnc32)cc1F.
What is the InChIKey of [4-(3,4-dihydro-2H-1,8-naphthyridin-1-yl)-2-fluorophenyl]-methyldiazene?
The InChIKey is ZHLOWZABOOAEAY-HTXNQAPBSA-N. The full InChI is InChI=1S/C15H15FN4/c1-17-19-14-7-6-12(10-13(14)16)20-9-3-5-11-4-2-8-18-15(11)20/h2,4,6-8,10H,3,5,9H2,1H3/b19-17+.
What are the key properties of [4-(3,4-dihydro-2H-1,8-naphthyridin-1-yl)-2-fluorophenyl]-methyldiazene?
[4-(3,4-dihydro-2H-1,8-naphthyridin-1-yl)-2-fluorophenyl]-methyldiazene has a molecular weight of 270.31 g/mol, XLogP of 4.02, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,4-dihydro-2H-1,8-naphthyridin-1-yl)-2-fluorophenyl]-methyldiazene is sourced from PubChem (CID 166887258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).