8-N-(3-ethylcyclohexyl)-7-fluoroquinoline-5,8-diamine

C17H22FN3 — CID 83166347

IUPAC8-N-(3-ethylcyclohexyl)-7-fluoroquinoline-5,8-diamine
SMILESCCC1CCCC(Nc2c(F)cc(N)c3cccnc23)C1
InChIInChI=1S/C17H22FN3/c1-2-11-5-3-6-12(9-11)21-17-14(18)10-15(19)13-7-4-8-20-16(13)17/h4,7-8,10-12,21H,2-3,5-6,9,19H2,1H3
InChIKeyISBYCKYHHRRPAI-UHFFFAOYSA-N
MW287.38 g/mol
LogP4.34
Rot. Bonds3

About 8-N-(3-ethylcyclohexyl)-7-fluoroquinoline-5,8-diamine

8-N-(3-ethylcyclohexyl)-7-fluoroquinoline-5,8-diamine (PubChem CID 83166347) has the molecular formula C17H22FN3 and a molecular weight of 287.38 g/mol. Its IUPAC name is 8-N-(3-ethylcyclohexyl)-7-fluoroquinoline-5,8-diamine.

Molecular Properties

Compound Name8-N-(3-ethylcyclohexyl)-7-fluoroquinoline-5,8-diamine
PubChem CID83166347
Molecular FormulaC17H22FN3
Molecular Weight287.38 g/mol
Exact Mass287.18
IUPAC Name8-N-(3-ethylcyclohexyl)-7-fluoroquinoline-5,8-diamine
SMILESCCC1CCCC(Nc2c(F)cc(N)c3cccnc23)C1
InChIInChI=1S/C17H22FN3/c1-2-11-5-3-6-12(9-11)21-17-14(18)10-15(19)13-7-4-8-20-16(13)17/h4,7-8,10-12,21H,2-3,5-6,9,19H2,1H3
InChIKeyISBYCKYHHRRPAI-UHFFFAOYSA-N
XLogP4.34
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 54.34
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

8-N-(3-ethylcyclohexyl)quinoline-5,8-diamine
CID 64749205
8-N-(1,1-dioxothiolan-3-yl)-7-fluoroquinoline-5,8-diamine
CID 83174233
4-N-(3-ethylcyclohexyl)quinoline-4,8-diamine
CID 83060747
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
3-[[(5-amino-7-fluoroquinolin-8-yl)amino]methyl]cyclopentan-1-ol
CID 106119511
8-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-7-fluoroquinoline-5,8-diamine
CID 83164303
3-[(5-amino-7-fluoroquinolin-8-yl)amino]piperidin-2-one
CID 83165156
7-fluoro-8-N-(3-methylpentan-3-yl)quinoline-5,8-diamine
CID 106327998
2-[[(5-amino-7-fluoroquinolin-8-yl)amino]methyl]cyclohexan-1-ol
CID 83166348
5-chloro-1-N-(3-ethylcyclohexyl)-6-fluorobenzene-1,2,4-triamine
CID 103553200
7-fluoro-8-N-[(1-methylcyclopentyl)methyl]quinoline-5,8-diamine
CID 83165841

Frequently Asked Questions

What is the IUPAC name of 8-N-(3-ethylcyclohexyl)-7-fluoroquinoline-5,8-diamine?
The IUPAC name of 8-N-(3-ethylcyclohexyl)-7-fluoroquinoline-5,8-diamine (CID 83166347) is 8-N-(3-ethylcyclohexyl)-7-fluoroquinoline-5,8-diamine.
What is the SMILES notation for 8-N-(3-ethylcyclohexyl)-7-fluoroquinoline-5,8-diamine?
The canonical SMILES for 8-N-(3-ethylcyclohexyl)-7-fluoroquinoline-5,8-diamine is CCC1CCCC(Nc2c(F)cc(N)c3cccnc23)C1.
What is the InChIKey of 8-N-(3-ethylcyclohexyl)-7-fluoroquinoline-5,8-diamine?
The InChIKey is ISBYCKYHHRRPAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3/c1-2-11-5-3-6-12(9-11)21-17-14(18)10-15(19)13-7-4-8-20-16(13)17/h4,7-8,10-12,21H,2-3,5-6,9,19H2,1H3.
What are the key properties of 8-N-(3-ethylcyclohexyl)-7-fluoroquinoline-5,8-diamine?
8-N-(3-ethylcyclohexyl)-7-fluoroquinoline-5,8-diamine has a molecular weight of 287.38 g/mol, XLogP of 4.34, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-N-(3-ethylcyclohexyl)-7-fluoroquinoline-5,8-diamine is sourced from PubChem (CID 83166347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).