4-N-(4-fluoro-3-methylphenyl)quinoline-4,8-diamine

C16H14FN3 — CID 83060895

IUPAC4-N-(4-fluoro-3-methylphenyl)quinoline-4,8-diamine
SMILESCc1cc(Nc2ccnc3c(N)cccc23)ccc1F
InChIInChI=1S/C16H14FN3/c1-10-9-11(5-6-13(10)17)20-15-7-8-19-16-12(15)3-2-4-14(16)18/h2-9H,18H2,1H3,(H,19,20)
InChIKeyMPQUGDDVKMBRFB-UHFFFAOYSA-N
MW267.31 g/mol
LogP4.01
Rot. Bonds2

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

4-N-(4-fluoro-3-methylphenyl)quinoline-4,8-diamine (PubChem CID 83060895) has the molecular formula C16H14FN3 and a molecular weight of 267.31 g/mol. Its IUPAC name is 4-N-(4-fluoro-3-methylphenyl)quinoline-4,8-diamine.

Molecular Properties

Compound Name4-N-(4-fluoro-3-methylphenyl)quinoline-4,8-diamine
PubChem CID83060895
Molecular FormulaC16H14FN3
Molecular Weight267.31 g/mol
Exact Mass267.12
IUPAC Name4-N-(4-fluoro-3-methylphenyl)quinoline-4,8-diamine
SMILESCc1cc(Nc2ccnc3c(N)cccc23)ccc1F
InChIInChI=1S/C16H14FN3/c1-10-9-11(5-6-13(10)17)20-15-7-8-19-16-12(15)3-2-4-14(16)18/h2-9H,18H2,1H3,(H,19,20)
InChIKeyMPQUGDDVKMBRFB-UHFFFAOYSA-N
XLogP4.01
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-N-(4-fluoro-3-methylphenyl)quinoline-4,8-diamine?
The IUPAC name of 4-N-(4-fluoro-3-methylphenyl)quinoline-4,8-diamine (CID 83060895) is 4-N-(4-fluoro-3-methylphenyl)quinoline-4,8-diamine.
What is the SMILES notation for 4-N-(4-fluoro-3-methylphenyl)quinoline-4,8-diamine?
The canonical SMILES for 4-N-(4-fluoro-3-methylphenyl)quinoline-4,8-diamine is Cc1cc(Nc2ccnc3c(N)cccc23)ccc1F.
What is the InChIKey of 4-N-(4-fluoro-3-methylphenyl)quinoline-4,8-diamine?
The InChIKey is MPQUGDDVKMBRFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3/c1-10-9-11(5-6-13(10)17)20-15-7-8-19-16-12(15)3-2-4-14(16)18/h2-9H,18H2,1H3,(H,19,20).
What are the key properties of 4-N-(4-fluoro-3-methylphenyl)quinoline-4,8-diamine?
4-N-(4-fluoro-3-methylphenyl)quinoline-4,8-diamine has a molecular weight of 267.31 g/mol, XLogP of 4.01, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-fluoro-3-methylphenyl)quinoline-4,8-diamine is sourced from PubChem (CID 83060895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).