2-[(5-amino-7-fluoroquinolin-8-yl)-ethylamino]-N-ethylacetamide

C15H19FN4O — CID 83165492

IUPAC2-[(5-amino-7-fluoroquinolin-8-yl)-ethylamino]-N-ethylacetamide
SMILESCCNC(=O)CN(CC)c1c(F)cc(N)c2cccnc12
InChIInChI=1S/C15H19FN4O/c1-3-18-13(21)9-20(4-2)15-11(16)8-12(17)10-6-5-7-19-14(10)15/h5-8H,3-4,9,17H2,1-2H3,(H,18,21)
InChIKeyVLENLALPEUBXDA-UHFFFAOYSA-N
MW290.34 g/mol
LogP1.92
Rot. Bonds5

About 2-[(5-amino-7-fluoroquinolin-8-yl)-ethylamino]-N-ethylacetamide

2-[(5-amino-7-fluoroquinolin-8-yl)-ethylamino]-N-ethylacetamide (PubChem CID 83165492) has the molecular formula C15H19FN4O and a molecular weight of 290.34 g/mol. Its IUPAC name is 2-[(5-amino-7-fluoroquinolin-8-yl)-ethylamino]-N-ethylacetamide.

Molecular Properties

Compound Name2-[(5-amino-7-fluoroquinolin-8-yl)-ethylamino]-N-ethylacetamide
PubChem CID83165492
Molecular FormulaC15H19FN4O
Molecular Weight290.34 g/mol
Exact Mass290.15
IUPAC Name2-[(5-amino-7-fluoroquinolin-8-yl)-ethylamino]-N-ethylacetamide
SMILESCCNC(=O)CN(CC)c1c(F)cc(N)c2cccnc12
InChIInChI=1S/C15H19FN4O/c1-3-18-13(21)9-20(4-2)15-11(16)8-12(17)10-6-5-7-19-14(10)15/h5-8H,3-4,9,17H2,1-2H3,(H,18,21)
InChIKeyVLENLALPEUBXDA-UHFFFAOYSA-N
XLogP1.92
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(5-amino-7-fluoroquinolin-8-yl)-methylamino]-N,N-dimethylacetamide
CID 83165325
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
8-N-(2-ethoxyethyl)-8-N-ethyl-7-fluoroquinoline-5,8-diamine
CID 83165159
1-[(5-amino-7-fluoroquinolin-8-yl)-methylamino]propan-2-ol
CID 83163721
2-(2-amino-N-ethyl-3-fluoroanilino)-N-ethylacetamide
CID 54986511
2-(2-amino-5-ethoxy-N-ethyl-4-fluoroanilino)-N-ethylacetamide
CID 63592696
N-ethyl-2-[N-ethyl-2,6-difluoro-4-(methylaminomethyl)anilino]acetamide
CID 63076799
2-[(3-chloro-2-pyridinyl)-ethylamino]-N-ethylacetamide
CID 133382755
7-fluoro-8-N-methyl-8-N-phenylquinoline-5,8-diamine
CID 83173957
2-(4-amino-N-ethyl-2-fluoroanilino)-N-ethylacetamide
CID 54986995
ethyl 3-[(5-amino-7-fluoroquinolin-8-yl)amino]propanoate
CID 83164635

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-7-fluoroquinolin-8-yl)-ethylamino]-N-ethylacetamide?
The IUPAC name of 2-[(5-amino-7-fluoroquinolin-8-yl)-ethylamino]-N-ethylacetamide (CID 83165492) is 2-[(5-amino-7-fluoroquinolin-8-yl)-ethylamino]-N-ethylacetamide.
What is the SMILES notation for 2-[(5-amino-7-fluoroquinolin-8-yl)-ethylamino]-N-ethylacetamide?
The canonical SMILES for 2-[(5-amino-7-fluoroquinolin-8-yl)-ethylamino]-N-ethylacetamide is CCNC(=O)CN(CC)c1c(F)cc(N)c2cccnc12.
What is the InChIKey of 2-[(5-amino-7-fluoroquinolin-8-yl)-ethylamino]-N-ethylacetamide?
The InChIKey is VLENLALPEUBXDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN4O/c1-3-18-13(21)9-20(4-2)15-11(16)8-12(17)10-6-5-7-19-14(10)15/h5-8H,3-4,9,17H2,1-2H3,(H,18,21).
What are the key properties of 2-[(5-amino-7-fluoroquinolin-8-yl)-ethylamino]-N-ethylacetamide?
2-[(5-amino-7-fluoroquinolin-8-yl)-ethylamino]-N-ethylacetamide has a molecular weight of 290.34 g/mol, XLogP of 1.92, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-7-fluoroquinolin-8-yl)-ethylamino]-N-ethylacetamide is sourced from PubChem (CID 83165492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).