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

C14H18FN3O — CID 83166013

IUPAC7-fluoro-8-N-(4-methoxybutan-2-yl)quinoline-5,8-diamine
SMILESCOCCC(C)Nc1c(F)cc(N)c2cccnc12
InChIInChI=1S/C14H18FN3O/c1-9(5-7-19-2)18-14-11(15)8-12(16)10-4-3-6-17-13(10)14/h3-4,6,8-9,18H,5,7,16H2,1-2H3
InChIKeyGWZCEJHWCDEXFW-UHFFFAOYSA-N
MW263.32 g/mol
LogP2.79
Rot. Bonds5

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

7-fluoro-8-N-(4-methoxybutan-2-yl)quinoline-5,8-diamine (PubChem CID 83166013) has the molecular formula C14H18FN3O and a molecular weight of 263.32 g/mol. Its IUPAC name is 7-fluoro-8-N-(4-methoxybutan-2-yl)quinoline-5,8-diamine.

Molecular Properties

Compound Name7-fluoro-8-N-(4-methoxybutan-2-yl)quinoline-5,8-diamine
PubChem CID83166013
Molecular FormulaC14H18FN3O
Molecular Weight263.32 g/mol
Exact Mass263.14
IUPAC Name7-fluoro-8-N-(4-methoxybutan-2-yl)quinoline-5,8-diamine
SMILESCOCCC(C)Nc1c(F)cc(N)c2cccnc12
InChIInChI=1S/C14H18FN3O/c1-9(5-7-19-2)18-14-11(15)8-12(16)10-4-3-6-17-13(10)14/h3-4,6,8-9,18H,5,7,16H2,1-2H3
InChIKeyGWZCEJHWCDEXFW-UHFFFAOYSA-N
XLogP2.79
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

7-fluoro-8-N-heptan-2-ylquinoline-5,8-diamine
CID 83165831
2-[(5-amino-7-fluoroquinolin-8-yl)amino]propan-1-ol
CID 83165824
7-fluoro-8-N-(4-methylpentan-2-yl)quinoline-5,8-diamine
CID 83164439
7-fluoro-8-N-(3-methoxy-2-methylpropyl)quinoline-5,8-diamine
CID 83164289
methyl 2-[(5-amino-7-fluoroquinolin-8-yl)amino]-3-methylbutanoate
CID 83166155
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-[2-(2-methoxyethoxy)ethyl]quinoline-5,8-diamine
CID 83164452
7-fluoro-8-N-(3-methylbutyl)quinoline-5,8-diamine
CID 83174141
7-fluoro-8-N-octan-4-ylquinoline-5,8-diamine
CID 106022412
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-methoxybutan-2-yl)quinoline-5,8-diamine?
The IUPAC name of 7-fluoro-8-N-(4-methoxybutan-2-yl)quinoline-5,8-diamine (CID 83166013) is 7-fluoro-8-N-(4-methoxybutan-2-yl)quinoline-5,8-diamine.
What is the SMILES notation for 7-fluoro-8-N-(4-methoxybutan-2-yl)quinoline-5,8-diamine?
The canonical SMILES for 7-fluoro-8-N-(4-methoxybutan-2-yl)quinoline-5,8-diamine is COCCC(C)Nc1c(F)cc(N)c2cccnc12.
What is the InChIKey of 7-fluoro-8-N-(4-methoxybutan-2-yl)quinoline-5,8-diamine?
The InChIKey is GWZCEJHWCDEXFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O/c1-9(5-7-19-2)18-14-11(15)8-12(16)10-4-3-6-17-13(10)14/h3-4,6,8-9,18H,5,7,16H2,1-2H3.
What are the key properties of 7-fluoro-8-N-(4-methoxybutan-2-yl)quinoline-5,8-diamine?
7-fluoro-8-N-(4-methoxybutan-2-yl)quinoline-5,8-diamine has a molecular weight of 263.32 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-8-N-(4-methoxybutan-2-yl)quinoline-5,8-diamine is sourced from PubChem (CID 83166013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).