7-fluoro-8-N-[(1-methylcyclopentyl)methyl]quinoline-5,8-diamine

C16H20FN3 — CID 83165841

IUPAC7-fluoro-8-N-[(1-methylcyclopentyl)methyl]quinoline-5,8-diamine
SMILESCC1(CNc2c(F)cc(N)c3cccnc23)CCCC1
InChIInChI=1S/C16H20FN3/c1-16(6-2-3-7-16)10-20-15-12(17)9-13(18)11-5-4-8-19-14(11)15/h4-5,8-9,20H,2-3,6-7,10,18H2,1H3
InChIKeyKPVRSLAGWXFIJH-UHFFFAOYSA-N
MW273.35 g/mol
LogP3.95
Rot. Bonds3

About 7-fluoro-8-N-[(1-methylcyclopentyl)methyl]quinoline-5,8-diamine

7-fluoro-8-N-[(1-methylcyclopentyl)methyl]quinoline-5,8-diamine (PubChem CID 83165841) has the molecular formula C16H20FN3 and a molecular weight of 273.35 g/mol. Its IUPAC name is 7-fluoro-8-N-[(1-methylcyclopentyl)methyl]quinoline-5,8-diamine.

Molecular Properties

Compound Name7-fluoro-8-N-[(1-methylcyclopentyl)methyl]quinoline-5,8-diamine
PubChem CID83165841
Molecular FormulaC16H20FN3
Molecular Weight273.35 g/mol
Exact Mass273.16
IUPAC Name7-fluoro-8-N-[(1-methylcyclopentyl)methyl]quinoline-5,8-diamine
SMILESCC1(CNc2c(F)cc(N)c3cccnc23)CCCC1
InChIInChI=1S/C16H20FN3/c1-16(6-2-3-7-16)10-20-15-12(17)9-13(18)11-5-4-8-19-14(11)15/h4-5,8-9,20H,2-3,6-7,10,18H2,1H3
InChIKeyKPVRSLAGWXFIJH-UHFFFAOYSA-N
XLogP3.95
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.35
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[[(5-amino-7-fluoroquinolin-8-yl)amino]methyl]-2-methyloxolan-3-ol
CID 106099576
7-fluoro-8-N-(3-methylbutyl)quinoline-5,8-diamine
CID 83174141
8-N-[4-(dimethylamino)butyl]-7-fluoroquinoline-5,8-diamine
CID 83164454
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
7-fluoro-8-N-(3-methylsulfanylpropyl)quinoline-5,8-diamine
CID 83164465
2-[[(5-amino-7-fluoroquinolin-8-yl)amino]methyl]cyclohexan-1-ol
CID 83166348
7-fluoro-8-N-(4,4,4-trifluorobutyl)quinoline-5,8-diamine
CID 83166181
3-[[(5-amino-7-fluoroquinolin-8-yl)amino]methyl]cyclobutan-1-ol
CID 83164807
7-fluoro-8-N-(oxan-4-ylmethyl)quinoline-5,8-diamine
CID 83165675
8-N-[3-(diethylamino)propyl]-7-fluoroquinoline-5,8-diamine
CID 83163867
7-fluoro-8-N-[2-(2-methoxyethoxy)ethyl]quinoline-5,8-diamine
CID 83164452

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-8-N-[(1-methylcyclopentyl)methyl]quinoline-5,8-diamine?
The IUPAC name of 7-fluoro-8-N-[(1-methylcyclopentyl)methyl]quinoline-5,8-diamine (CID 83165841) is 7-fluoro-8-N-[(1-methylcyclopentyl)methyl]quinoline-5,8-diamine.
What is the SMILES notation for 7-fluoro-8-N-[(1-methylcyclopentyl)methyl]quinoline-5,8-diamine?
The canonical SMILES for 7-fluoro-8-N-[(1-methylcyclopentyl)methyl]quinoline-5,8-diamine is CC1(CNc2c(F)cc(N)c3cccnc23)CCCC1.
What is the InChIKey of 7-fluoro-8-N-[(1-methylcyclopentyl)methyl]quinoline-5,8-diamine?
The InChIKey is KPVRSLAGWXFIJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3/c1-16(6-2-3-7-16)10-20-15-12(17)9-13(18)11-5-4-8-19-14(11)15/h4-5,8-9,20H,2-3,6-7,10,18H2,1H3.
What are the key properties of 7-fluoro-8-N-[(1-methylcyclopentyl)methyl]quinoline-5,8-diamine?
7-fluoro-8-N-[(1-methylcyclopentyl)methyl]quinoline-5,8-diamine has a molecular weight of 273.35 g/mol, XLogP of 3.95, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-8-N-[(1-methylcyclopentyl)methyl]quinoline-5,8-diamine is sourced from PubChem (CID 83165841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).