5-N-(3-fluoro-4-methoxyphenyl)quinoline-5,8-diamine

C16H14FN3O — CID 43449573

IUPAC5-N-(3-fluoro-4-methoxyphenyl)quinoline-5,8-diamine
SMILESCOc1ccc(Nc2ccc(N)c3ncccc23)cc1F
InChIInChI=1S/C16H14FN3O/c1-21-15-7-4-10(9-12(15)17)20-14-6-5-13(18)16-11(14)3-2-8-19-16/h2-9,20H,18H2,1H3
InChIKeyWLLMWTDVZKWFAR-UHFFFAOYSA-N
MW283.31 g/mol
LogP3.71
Rot. Bonds3

About 5-N-(3-fluoro-4-methoxyphenyl)quinoline-5,8-diamine

5-N-(3-fluoro-4-methoxyphenyl)quinoline-5,8-diamine (PubChem CID 43449573) has the molecular formula C16H14FN3O and a molecular weight of 283.31 g/mol. Its IUPAC name is 5-N-(3-fluoro-4-methoxyphenyl)quinoline-5,8-diamine.

Molecular Properties

Compound Name5-N-(3-fluoro-4-methoxyphenyl)quinoline-5,8-diamine
PubChem CID43449573
Molecular FormulaC16H14FN3O
Molecular Weight283.31 g/mol
Exact Mass283.11
IUPAC Name5-N-(3-fluoro-4-methoxyphenyl)quinoline-5,8-diamine
SMILESCOc1ccc(Nc2ccc(N)c3ncccc23)cc1F
InChIInChI=1S/C16H14FN3O/c1-21-15-7-4-10(9-12(15)17)20-14-6-5-13(18)16-11(14)3-2-8-19-16/h2-9,20H,18H2,1H3
InChIKeyWLLMWTDVZKWFAR-UHFFFAOYSA-N
XLogP3.71
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-N-(4-fluoro-3-methoxyphenyl)quinoline-5,8-diamine
CID 114837272
5-N-(4-methylphenyl)quinoline-5,8-diamine
CID 43449531
4-N-(4-fluoro-3-methylphenyl)quinoline-4,8-diamine
CID 83060895
1-N-(3-fluoro-4-methoxyphenyl)-4-methylbenzene-1,2-diamine
CID 43380700
8-N-(3,4,5-trifluorophenyl)quinoline-5,8-diamine
CID 62809309
4-N-(3,4-dimethylphenyl)quinoline-4,8-diamine
CID 83060283
8-N-(5-chloro-2-methoxyphenyl)quinoline-5,8-diamine
CID 43450176
8-N-(2-methoxy-5-methylphenyl)quinoline-5,8-diamine
CID 43450177
4-N-(3-fluoro-4-methoxyphenyl)-1H-pyrazole-4,5-diamine
CID 82236271
1-N-(3-fluoro-4-methoxyphenyl)-4-methylsulfonylbenzene-1,2-diamine
CID 43448114
4-N-(3-fluoro-4-methoxyphenyl)pyrimidine-4,6-diamine
CID 80779473
4-N-(3-fluoro-4-methoxyphenyl)-2-(trifluoromethyl)benzene-1,4-diamine
CID 43380714

Frequently Asked Questions

What is the IUPAC name of 5-N-(3-fluoro-4-methoxyphenyl)quinoline-5,8-diamine?
The IUPAC name of 5-N-(3-fluoro-4-methoxyphenyl)quinoline-5,8-diamine (CID 43449573) is 5-N-(3-fluoro-4-methoxyphenyl)quinoline-5,8-diamine.
What is the SMILES notation for 5-N-(3-fluoro-4-methoxyphenyl)quinoline-5,8-diamine?
The canonical SMILES for 5-N-(3-fluoro-4-methoxyphenyl)quinoline-5,8-diamine is COc1ccc(Nc2ccc(N)c3ncccc23)cc1F.
What is the InChIKey of 5-N-(3-fluoro-4-methoxyphenyl)quinoline-5,8-diamine?
The InChIKey is WLLMWTDVZKWFAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O/c1-21-15-7-4-10(9-12(15)17)20-14-6-5-13(18)16-11(14)3-2-8-19-16/h2-9,20H,18H2,1H3.
What are the key properties of 5-N-(3-fluoro-4-methoxyphenyl)quinoline-5,8-diamine?
5-N-(3-fluoro-4-methoxyphenyl)quinoline-5,8-diamine has a molecular weight of 283.31 g/mol, XLogP of 3.71, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(3-fluoro-4-methoxyphenyl)quinoline-5,8-diamine is sourced from PubChem (CID 43449573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).