7-fluoro-8-N-(3-fluorophenyl)-8-N-methylquinoline-5,8-diamine

C16H13F2N3 — CID 83164643

IUPAC7-fluoro-8-N-(3-fluorophenyl)-8-N-methylquinoline-5,8-diamine
SMILESCN(c1cccc(F)c1)c1c(F)cc(N)c2cccnc12
InChIInChI=1S/C16H13F2N3/c1-21(11-5-2-4-10(17)8-11)16-13(18)9-14(19)12-6-3-7-20-15(12)16/h2-9H,19H2,1H3
InChIKeyBCMDOSWXUYYHBW-UHFFFAOYSA-N
MW285.30 g/mol
LogP3.86
Rot. Bonds2

About 7-fluoro-8-N-(3-fluorophenyl)-8-N-methylquinoline-5,8-diamine

7-fluoro-8-N-(3-fluorophenyl)-8-N-methylquinoline-5,8-diamine (PubChem CID 83164643) has the molecular formula C16H13F2N3 and a molecular weight of 285.30 g/mol. Its IUPAC name is 7-fluoro-8-N-(3-fluorophenyl)-8-N-methylquinoline-5,8-diamine.

Molecular Properties

Compound Name7-fluoro-8-N-(3-fluorophenyl)-8-N-methylquinoline-5,8-diamine
PubChem CID83164643
Molecular FormulaC16H13F2N3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name7-fluoro-8-N-(3-fluorophenyl)-8-N-methylquinoline-5,8-diamine
SMILESCN(c1cccc(F)c1)c1c(F)cc(N)c2cccnc12
InChIInChI=1S/C16H13F2N3/c1-21(11-5-2-4-10(17)8-11)16-13(18)9-14(19)12-6-3-7-20-15(12)16/h2-9H,19H2,1H3
InChIKeyBCMDOSWXUYYHBW-UHFFFAOYSA-N
XLogP3.86
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 53.86
H-Bond Donors ≤ 51
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 7-fluoro-8-N-(3-fluorophenyl)-8-N-methylquinoline-5,8-diamine?
The IUPAC name of 7-fluoro-8-N-(3-fluorophenyl)-8-N-methylquinoline-5,8-diamine (CID 83164643) is 7-fluoro-8-N-(3-fluorophenyl)-8-N-methylquinoline-5,8-diamine.
What is the SMILES notation for 7-fluoro-8-N-(3-fluorophenyl)-8-N-methylquinoline-5,8-diamine?
The canonical SMILES for 7-fluoro-8-N-(3-fluorophenyl)-8-N-methylquinoline-5,8-diamine is CN(c1cccc(F)c1)c1c(F)cc(N)c2cccnc12.
What is the InChIKey of 7-fluoro-8-N-(3-fluorophenyl)-8-N-methylquinoline-5,8-diamine?
The InChIKey is BCMDOSWXUYYHBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2N3/c1-21(11-5-2-4-10(17)8-11)16-13(18)9-14(19)12-6-3-7-20-15(12)16/h2-9H,19H2,1H3.
What are the key properties of 7-fluoro-8-N-(3-fluorophenyl)-8-N-methylquinoline-5,8-diamine?
7-fluoro-8-N-(3-fluorophenyl)-8-N-methylquinoline-5,8-diamine has a molecular weight of 285.30 g/mol, XLogP of 3.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-8-N-(3-fluorophenyl)-8-N-methylquinoline-5,8-diamine is sourced from PubChem (CID 83164643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).