2-[(5-amino-7-fluoroquinolin-8-yl)-methylamino]-N,N-dimethylacetamide

C14H17FN4O — CID 83165325

IUPAC2-[(5-amino-7-fluoroquinolin-8-yl)-methylamino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN(C)c1c(F)cc(N)c2cccnc12
InChIInChI=1S/C14H17FN4O/c1-18(2)12(20)8-19(3)14-10(15)7-11(16)9-5-4-6-17-13(9)14/h4-7H,8,16H2,1-3H3
InChIKeyVGNPDKTUVPVNHT-UHFFFAOYSA-N
MW276.32 g/mol
LogP1.48
Rot. Bonds3

About 2-[(5-amino-7-fluoroquinolin-8-yl)-methylamino]-N,N-dimethylacetamide

2-[(5-amino-7-fluoroquinolin-8-yl)-methylamino]-N,N-dimethylacetamide (PubChem CID 83165325) has the molecular formula C14H17FN4O and a molecular weight of 276.32 g/mol. Its IUPAC name is 2-[(5-amino-7-fluoroquinolin-8-yl)-methylamino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[(5-amino-7-fluoroquinolin-8-yl)-methylamino]-N,N-dimethylacetamide
PubChem CID83165325
Molecular FormulaC14H17FN4O
Molecular Weight276.32 g/mol
Exact Mass276.14
IUPAC Name2-[(5-amino-7-fluoroquinolin-8-yl)-methylamino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN(C)c1c(F)cc(N)c2cccnc12
InChIInChI=1S/C14H17FN4O/c1-18(2)12(20)8-19(3)14-10(15)7-11(16)9-5-4-6-17-13(9)14/h4-7H,8,16H2,1-3H3
InChIKeyVGNPDKTUVPVNHT-UHFFFAOYSA-N
XLogP1.48
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[(5-amino-7-fluoroquinolin-8-yl)-methylamino]propan-2-ol
CID 83163721
2-[(5-amino-7-fluoroquinolin-8-yl)-ethylamino]-N-ethylacetamide
CID 83165492
3-[(5-amino-7-fluoroquinolin-8-yl)-methylamino]-2-methylpropanenitrile
CID 83166150
7-fluoro-8-N-methyl-8-N-phenylquinoline-5,8-diamine
CID 83173957
7-fluoro-8-N-(3-fluorophenyl)-8-N-methylquinoline-5,8-diamine
CID 83164643
2-[(5-aminoquinolin-6-yl)-methylamino]-N,N-dimethylacetamide
CID 43809689
8-N-ethyl-7-fluoro-8-N-(2,2,2-trifluoroethyl)quinoline-5,8-diamine
CID 83165498
8-N-(2-ethoxyethyl)-8-N-ethyl-7-fluoroquinoline-5,8-diamine
CID 83165159
8-N-(cyclopropylmethyl)-8-N-ethyl-7-fluoroquinoline-5,8-diamine
CID 83164113
ethyl 3-[(5-amino-7-fluoroquinolin-8-yl)amino]propanoate
CID 83164635
2-[(5-amino-7-fluoroquinolin-8-yl)-cyclobutylamino]ethanol
CID 102859479
1-(5-amino-7-fluoroquinolin-8-yl)-N-methylpyrazole-3-carboxamide
CID 83166188

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-7-fluoroquinolin-8-yl)-methylamino]-N,N-dimethylacetamide?
The IUPAC name of 2-[(5-amino-7-fluoroquinolin-8-yl)-methylamino]-N,N-dimethylacetamide (CID 83165325) is 2-[(5-amino-7-fluoroquinolin-8-yl)-methylamino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[(5-amino-7-fluoroquinolin-8-yl)-methylamino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[(5-amino-7-fluoroquinolin-8-yl)-methylamino]-N,N-dimethylacetamide is CN(C)C(=O)CN(C)c1c(F)cc(N)c2cccnc12.
What is the InChIKey of 2-[(5-amino-7-fluoroquinolin-8-yl)-methylamino]-N,N-dimethylacetamide?
The InChIKey is VGNPDKTUVPVNHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4O/c1-18(2)12(20)8-19(3)14-10(15)7-11(16)9-5-4-6-17-13(9)14/h4-7H,8,16H2,1-3H3.
What are the key properties of 2-[(5-amino-7-fluoroquinolin-8-yl)-methylamino]-N,N-dimethylacetamide?
2-[(5-amino-7-fluoroquinolin-8-yl)-methylamino]-N,N-dimethylacetamide has a molecular weight of 276.32 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-7-fluoroquinolin-8-yl)-methylamino]-N,N-dimethylacetamide is sourced from PubChem (CID 83165325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).