6-N-(5-fluoro-2-methylphenyl)quinoline-5,6-diamine

C16H14FN3 — CID 43809628

IUPAC6-N-(5-fluoro-2-methylphenyl)quinoline-5,6-diamine
SMILESCc1ccc(F)cc1Nc1ccc2ncccc2c1N
InChIInChI=1S/C16H14FN3/c1-10-4-5-11(17)9-15(10)20-14-7-6-13-12(16(14)18)3-2-8-19-13/h2-9,20H,18H2,1H3
InChIKeyBVSIGEJARMTFCV-UHFFFAOYSA-N
MW267.31 g/mol
LogP4.01
Rot. Bonds2

About 6-N-(5-fluoro-2-methylphenyl)quinoline-5,6-diamine

6-N-(5-fluoro-2-methylphenyl)quinoline-5,6-diamine (PubChem CID 43809628) has the molecular formula C16H14FN3 and a molecular weight of 267.31 g/mol. Its IUPAC name is 6-N-(5-fluoro-2-methylphenyl)quinoline-5,6-diamine.

Molecular Properties

Compound Name6-N-(5-fluoro-2-methylphenyl)quinoline-5,6-diamine
PubChem CID43809628
Molecular FormulaC16H14FN3
Molecular Weight267.31 g/mol
Exact Mass267.12
IUPAC Name6-N-(5-fluoro-2-methylphenyl)quinoline-5,6-diamine
SMILESCc1ccc(F)cc1Nc1ccc2ncccc2c1N
InChIInChI=1S/C16H14FN3/c1-10-4-5-11(17)9-15(10)20-14-7-6-13-12(16(14)18)3-2-8-19-13/h2-9,20H,18H2,1H3
InChIKeyBVSIGEJARMTFCV-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 6-N-(5-fluoro-2-methylphenyl)quinoline-5,6-diamine?
The IUPAC name of 6-N-(5-fluoro-2-methylphenyl)quinoline-5,6-diamine (CID 43809628) is 6-N-(5-fluoro-2-methylphenyl)quinoline-5,6-diamine.
What is the SMILES notation for 6-N-(5-fluoro-2-methylphenyl)quinoline-5,6-diamine?
The canonical SMILES for 6-N-(5-fluoro-2-methylphenyl)quinoline-5,6-diamine is Cc1ccc(F)cc1Nc1ccc2ncccc2c1N.
What is the InChIKey of 6-N-(5-fluoro-2-methylphenyl)quinoline-5,6-diamine?
The InChIKey is BVSIGEJARMTFCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3/c1-10-4-5-11(17)9-15(10)20-14-7-6-13-12(16(14)18)3-2-8-19-13/h2-9,20H,18H2,1H3.
What are the key properties of 6-N-(5-fluoro-2-methylphenyl)quinoline-5,6-diamine?
6-N-(5-fluoro-2-methylphenyl)quinoline-5,6-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 6-N-(5-fluoro-2-methylphenyl)quinoline-5,6-diamine is sourced from PubChem (CID 43809628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).