7-fluoro-8-N-(3-methoxy-2-methylpropyl)quinoline-5,8-diamine

C14H18FN3O — CID 83164289

IUPAC7-fluoro-8-N-(3-methoxy-2-methylpropyl)quinoline-5,8-diamine
SMILESCOCC(C)CNc1c(F)cc(N)c2cccnc12
InChIInChI=1S/C14H18FN3O/c1-9(8-19-2)7-18-14-11(15)6-12(16)10-4-3-5-17-13(10)14/h3-6,9,18H,7-8,16H2,1-2H3
InChIKeyNFCXIVVKBUUAQU-UHFFFAOYSA-N
MW263.32 g/mol
LogP2.65
Rot. Bonds5

About 7-fluoro-8-N-(3-methoxy-2-methylpropyl)quinoline-5,8-diamine

7-fluoro-8-N-(3-methoxy-2-methylpropyl)quinoline-5,8-diamine (PubChem CID 83164289) has the molecular formula C14H18FN3O and a molecular weight of 263.32 g/mol. Its IUPAC name is 7-fluoro-8-N-(3-methoxy-2-methylpropyl)quinoline-5,8-diamine.

Molecular Properties

Compound Name7-fluoro-8-N-(3-methoxy-2-methylpropyl)quinoline-5,8-diamine
PubChem CID83164289
Molecular FormulaC14H18FN3O
Molecular Weight263.32 g/mol
Exact Mass263.14
IUPAC Name7-fluoro-8-N-(3-methoxy-2-methylpropyl)quinoline-5,8-diamine
SMILESCOCC(C)CNc1c(F)cc(N)c2cccnc12
InChIInChI=1S/C14H18FN3O/c1-9(8-19-2)7-18-14-11(15)6-12(16)10-4-3-5-17-13(10)14/h3-6,9,18H,7-8,16H2,1-2H3
InChIKeyNFCXIVVKBUUAQU-UHFFFAOYSA-N
XLogP2.65
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 ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 7-fluoro-8-N-(3-methoxy-2-methylpropyl)quinoline-5,8-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-fluoro-8-N-[2-(2-methoxyethoxy)ethyl]quinoline-5,8-diamine
CID 83164452
7-fluoro-8-N-(4-methoxybutan-2-yl)quinoline-5,8-diamine
CID 83166013
7-fluoro-8-N-(3-methylbutyl)quinoline-5,8-diamine
CID 83174141
methyl 2-[(5-amino-7-fluoroquinolin-8-yl)amino]-3-methylbutanoate
CID 83166155
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-[(1-methylcyclopentyl)methyl]quinoline-5,8-diamine
CID 83165841
7-fluoro-8-N-(3-methylpentan-3-yl)quinoline-5,8-diamine
CID 106327998
7-fluoro-8-N-(3-methylsulfanylpropyl)quinoline-5,8-diamine
CID 83164465
7-fluoro-8-N-(4,4,4-trifluorobutyl)quinoline-5,8-diamine
CID 83166181
8-N-[4-(dimethylamino)butyl]-7-fluoroquinoline-5,8-diamine
CID 83164454
7-fluoro-8-N-(oxan-4-ylmethyl)quinoline-5,8-diamine
CID 83165675

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-8-N-(3-methoxy-2-methylpropyl)quinoline-5,8-diamine?
The IUPAC name of 7-fluoro-8-N-(3-methoxy-2-methylpropyl)quinoline-5,8-diamine (CID 83164289) is 7-fluoro-8-N-(3-methoxy-2-methylpropyl)quinoline-5,8-diamine.
What is the SMILES notation for 7-fluoro-8-N-(3-methoxy-2-methylpropyl)quinoline-5,8-diamine?
The canonical SMILES for 7-fluoro-8-N-(3-methoxy-2-methylpropyl)quinoline-5,8-diamine is COCC(C)CNc1c(F)cc(N)c2cccnc12.
What is the InChIKey of 7-fluoro-8-N-(3-methoxy-2-methylpropyl)quinoline-5,8-diamine?
The InChIKey is NFCXIVVKBUUAQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O/c1-9(8-19-2)7-18-14-11(15)6-12(16)10-4-3-5-17-13(10)14/h3-6,9,18H,7-8,16H2,1-2H3.
What are the key properties of 7-fluoro-8-N-(3-methoxy-2-methylpropyl)quinoline-5,8-diamine?
7-fluoro-8-N-(3-methoxy-2-methylpropyl)quinoline-5,8-diamine has a molecular weight of 263.32 g/mol, XLogP of 2.65, 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-(3-methoxy-2-methylpropyl)quinoline-5,8-diamine is sourced from PubChem (CID 83164289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).