8-N-(2,4-dimethylphenyl)-7-fluoroquinoline-5,8-diamine

C17H16FN3 — CID 83163894

IUPAC8-N-(2,4-dimethylphenyl)-7-fluoroquinoline-5,8-diamine
SMILESCc1ccc(Nc2c(F)cc(N)c3cccnc23)c(C)c1
InChIInChI=1S/C17H16FN3/c1-10-5-6-15(11(2)8-10)21-17-13(18)9-14(19)12-4-3-7-20-16(12)17/h3-9,21H,19H2,1-2H3
InChIKeyFFFIOQUYFMTGDO-UHFFFAOYSA-N
MW281.33 g/mol
LogP4.32
Rot. Bonds2

About 8-N-(2,4-dimethylphenyl)-7-fluoroquinoline-5,8-diamine

8-N-(2,4-dimethylphenyl)-7-fluoroquinoline-5,8-diamine (PubChem CID 83163894) has the molecular formula C17H16FN3 and a molecular weight of 281.33 g/mol. Its IUPAC name is 8-N-(2,4-dimethylphenyl)-7-fluoroquinoline-5,8-diamine.

Molecular Properties

Compound Name8-N-(2,4-dimethylphenyl)-7-fluoroquinoline-5,8-diamine
PubChem CID83163894
Molecular FormulaC17H16FN3
Molecular Weight281.33 g/mol
Exact Mass281.13
IUPAC Name8-N-(2,4-dimethylphenyl)-7-fluoroquinoline-5,8-diamine
SMILESCc1ccc(Nc2c(F)cc(N)c3cccnc23)c(C)c1
InChIInChI=1S/C17H16FN3/c1-10-5-6-15(11(2)8-10)21-17-13(18)9-14(19)12-4-3-7-20-16(12)17/h3-9,21H,19H2,1-2H3
InChIKeyFFFIOQUYFMTGDO-UHFFFAOYSA-N
XLogP4.32
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 54.32
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 8-N-(2,4-dimethylphenyl)-7-fluoroquinoline-5,8-diamine?
The IUPAC name of 8-N-(2,4-dimethylphenyl)-7-fluoroquinoline-5,8-diamine (CID 83163894) is 8-N-(2,4-dimethylphenyl)-7-fluoroquinoline-5,8-diamine.
What is the SMILES notation for 8-N-(2,4-dimethylphenyl)-7-fluoroquinoline-5,8-diamine?
The canonical SMILES for 8-N-(2,4-dimethylphenyl)-7-fluoroquinoline-5,8-diamine is Cc1ccc(Nc2c(F)cc(N)c3cccnc23)c(C)c1.
What is the InChIKey of 8-N-(2,4-dimethylphenyl)-7-fluoroquinoline-5,8-diamine?
The InChIKey is FFFIOQUYFMTGDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3/c1-10-5-6-15(11(2)8-10)21-17-13(18)9-14(19)12-4-3-7-20-16(12)17/h3-9,21H,19H2,1-2H3.
What are the key properties of 8-N-(2,4-dimethylphenyl)-7-fluoroquinoline-5,8-diamine?
8-N-(2,4-dimethylphenyl)-7-fluoroquinoline-5,8-diamine has a molecular weight of 281.33 g/mol, XLogP of 4.32, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-N-(2,4-dimethylphenyl)-7-fluoroquinoline-5,8-diamine is sourced from PubChem (CID 83163894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).