8-N-(2-ethoxyethyl)-8-N-ethyl-7-fluoroquinoline-5,8-diamine

C15H20FN3O — CID 83165159

IUPAC8-N-(2-ethoxyethyl)-8-N-ethyl-7-fluoroquinoline-5,8-diamine
SMILESCCOCCN(CC)c1c(F)cc(N)c2cccnc12
InChIInChI=1S/C15H20FN3O/c1-3-19(8-9-20-4-2)15-12(16)10-13(17)11-6-5-7-18-14(11)15/h5-7,10H,3-4,8-9,17H2,1-2H3
InChIKeyFNVUOMALTNQZMF-UHFFFAOYSA-N
MW277.34 g/mol
LogP2.82
Rot. Bonds6

About 8-N-(2-ethoxyethyl)-8-N-ethyl-7-fluoroquinoline-5,8-diamine

8-N-(2-ethoxyethyl)-8-N-ethyl-7-fluoroquinoline-5,8-diamine (PubChem CID 83165159) has the molecular formula C15H20FN3O and a molecular weight of 277.34 g/mol. Its IUPAC name is 8-N-(2-ethoxyethyl)-8-N-ethyl-7-fluoroquinoline-5,8-diamine.

Molecular Properties

Compound Name8-N-(2-ethoxyethyl)-8-N-ethyl-7-fluoroquinoline-5,8-diamine
PubChem CID83165159
Molecular FormulaC15H20FN3O
Molecular Weight277.34 g/mol
Exact Mass277.16
IUPAC Name8-N-(2-ethoxyethyl)-8-N-ethyl-7-fluoroquinoline-5,8-diamine
SMILESCCOCCN(CC)c1c(F)cc(N)c2cccnc12
InChIInChI=1S/C15H20FN3O/c1-3-19(8-9-20-4-2)15-12(16)10-13(17)11-6-5-7-18-14(11)15/h5-7,10H,3-4,8-9,17H2,1-2H3
InChIKeyFNVUOMALTNQZMF-UHFFFAOYSA-N
XLogP2.82
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

8-N-ethyl-7-fluoro-8-N-(2,2,2-trifluoroethyl)quinoline-5,8-diamine
CID 83165498
8-N-(cyclopropylmethyl)-8-N-ethyl-7-fluoroquinoline-5,8-diamine
CID 83164113
2-[(5-amino-7-fluoroquinolin-8-yl)-ethylamino]-N-ethylacetamide
CID 83165492
2-[(5-amino-7-fluoroquinolin-8-yl)-methylamino]-N,N-dimethylacetamide
CID 83165325
7-fluoro-8-N-methyl-8-N-phenylquinoline-5,8-diamine
CID 83173957
1-[(5-amino-7-fluoroquinolin-8-yl)-methylamino]propan-2-ol
CID 83163721
4-(aminomethyl)-N-(2-ethoxyethyl)-N-ethyl-2,6-difluoroaniline
CID 63691026
[4-[2-ethoxyethyl(ethyl)amino]-3,5-difluorophenyl]methanol
CID 55226530
[2-[2-ethoxyethyl(ethyl)amino]-3-fluorophenyl]methanol
CID 114067502
7-fluoro-8-N-(3-fluorophenyl)-8-N-methylquinoline-5,8-diamine
CID 83164643
3-[(5-amino-7-fluoroquinolin-8-yl)-methylamino]-2-methylpropanenitrile
CID 83166150
8-N-[3-(diethylamino)propyl]-7-fluoroquinoline-5,8-diamine
CID 83163867

Frequently Asked Questions

What is the IUPAC name of 8-N-(2-ethoxyethyl)-8-N-ethyl-7-fluoroquinoline-5,8-diamine?
The IUPAC name of 8-N-(2-ethoxyethyl)-8-N-ethyl-7-fluoroquinoline-5,8-diamine (CID 83165159) is 8-N-(2-ethoxyethyl)-8-N-ethyl-7-fluoroquinoline-5,8-diamine.
What is the SMILES notation for 8-N-(2-ethoxyethyl)-8-N-ethyl-7-fluoroquinoline-5,8-diamine?
The canonical SMILES for 8-N-(2-ethoxyethyl)-8-N-ethyl-7-fluoroquinoline-5,8-diamine is CCOCCN(CC)c1c(F)cc(N)c2cccnc12.
What is the InChIKey of 8-N-(2-ethoxyethyl)-8-N-ethyl-7-fluoroquinoline-5,8-diamine?
The InChIKey is FNVUOMALTNQZMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3O/c1-3-19(8-9-20-4-2)15-12(16)10-13(17)11-6-5-7-18-14(11)15/h5-7,10H,3-4,8-9,17H2,1-2H3.
What are the key properties of 8-N-(2-ethoxyethyl)-8-N-ethyl-7-fluoroquinoline-5,8-diamine?
8-N-(2-ethoxyethyl)-8-N-ethyl-7-fluoroquinoline-5,8-diamine has a molecular weight of 277.34 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-N-(2-ethoxyethyl)-8-N-ethyl-7-fluoroquinoline-5,8-diamine is sourced from PubChem (CID 83165159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).