7-fluoro-8-N-(4-methylpentan-2-yl)quinoline-5,8-diamine

C15H20FN3 — CID 83164439

IUPAC7-fluoro-8-N-(4-methylpentan-2-yl)quinoline-5,8-diamine
SMILESCC(C)CC(C)Nc1c(F)cc(N)c2cccnc12
InChIInChI=1S/C15H20FN3/c1-9(2)7-10(3)19-15-12(16)8-13(17)11-5-4-6-18-14(11)15/h4-6,8-10,19H,7,17H2,1-3H3
InChIKeyOGUXDKWOICXJOG-UHFFFAOYSA-N
MW261.34 g/mol
LogP3.80
Rot. Bonds4

About 7-fluoro-8-N-(4-methylpentan-2-yl)quinoline-5,8-diamine

7-fluoro-8-N-(4-methylpentan-2-yl)quinoline-5,8-diamine (PubChem CID 83164439) has the molecular formula C15H20FN3 and a molecular weight of 261.34 g/mol. Its IUPAC name is 7-fluoro-8-N-(4-methylpentan-2-yl)quinoline-5,8-diamine.

Molecular Properties

Compound Name7-fluoro-8-N-(4-methylpentan-2-yl)quinoline-5,8-diamine
PubChem CID83164439
Molecular FormulaC15H20FN3
Molecular Weight261.34 g/mol
Exact Mass261.16
IUPAC Name7-fluoro-8-N-(4-methylpentan-2-yl)quinoline-5,8-diamine
SMILESCC(C)CC(C)Nc1c(F)cc(N)c2cccnc12
InChIInChI=1S/C15H20FN3/c1-9(2)7-10(3)19-15-12(16)8-13(17)11-5-4-6-18-14(11)15/h4-6,8-10,19H,7,17H2,1-3H3
InChIKeyOGUXDKWOICXJOG-UHFFFAOYSA-N
XLogP3.80
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.34
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

2-[(5-amino-7-fluoroquinolin-8-yl)amino]propan-1-ol
CID 83165824
7-fluoro-8-N-heptan-2-ylquinoline-5,8-diamine
CID 83165831
7-fluoro-8-N-(4-methoxybutan-2-yl)quinoline-5,8-diamine
CID 83166013
7-fluoro-8-N-[1-(furan-2-yl)propan-2-yl]quinoline-5,8-diamine
CID 83166149
7-fluoro-8-N-(1-pyrazol-1-ylpropan-2-yl)quinoline-5,8-diamine
CID 83164952
7-fluoro-8-N-(3-methylbutyl)quinoline-5,8-diamine
CID 83174141
8-N-(4-methylpentan-2-yl)quinoline-5,8-diamine
CID 43382933
methyl 2-[(5-amino-7-fluoroquinolin-8-yl)amino]-3-methylbutanoate
CID 83166155
7-fluoro-8-N-octan-4-ylquinoline-5,8-diamine
CID 106022412
7-fluoro-8-N-(3-methoxy-2-methylpropyl)quinoline-5,8-diamine
CID 83164289
7-fluoro-8-N-(3-methylpentan-3-yl)quinoline-5,8-diamine
CID 106327998
3-[(5-amino-7-fluoroquinolin-8-yl)amino]-2,3-dimethylbutan-2-ol
CID 106183325

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-8-N-(4-methylpentan-2-yl)quinoline-5,8-diamine?
The IUPAC name of 7-fluoro-8-N-(4-methylpentan-2-yl)quinoline-5,8-diamine (CID 83164439) is 7-fluoro-8-N-(4-methylpentan-2-yl)quinoline-5,8-diamine.
What is the SMILES notation for 7-fluoro-8-N-(4-methylpentan-2-yl)quinoline-5,8-diamine?
The canonical SMILES for 7-fluoro-8-N-(4-methylpentan-2-yl)quinoline-5,8-diamine is CC(C)CC(C)Nc1c(F)cc(N)c2cccnc12.
What is the InChIKey of 7-fluoro-8-N-(4-methylpentan-2-yl)quinoline-5,8-diamine?
The InChIKey is OGUXDKWOICXJOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3/c1-9(2)7-10(3)19-15-12(16)8-13(17)11-5-4-6-18-14(11)15/h4-6,8-10,19H,7,17H2,1-3H3.
What are the key properties of 7-fluoro-8-N-(4-methylpentan-2-yl)quinoline-5,8-diamine?
7-fluoro-8-N-(4-methylpentan-2-yl)quinoline-5,8-diamine has a molecular weight of 261.34 g/mol, XLogP of 3.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-8-N-(4-methylpentan-2-yl)quinoline-5,8-diamine is sourced from PubChem (CID 83164439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).