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

C14H17FN4O — CID 83165146

IUPAC2-[(5-amino-7-fluoroquinolin-8-yl)-methylamino]-N-ethylacetamide
SMILESCCNC(=O)CN(C)c1c(F)cc(N)c2cccnc12
InChIInChI=1S/C14H17FN4O/c1-3-17-12(20)8-19(2)14-10(15)7-11(16)9-5-4-6-18-13(9)14/h4-7H,3,8,16H2,1-2H3,(H,17,20)
InChIKeyAPCNVCVEQUZCNM-UHFFFAOYSA-N
MW276.31 g/mol
LogP1.53
Rot. Bonds4

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

2-[(5-amino-7-fluoroquinolin-8-yl)-methylamino]-N-ethylacetamide (PubChem CID 83165146) has the molecular formula C14H17FN4O and a molecular weight of 276.31 g/mol. Its IUPAC name is 2-[(5-amino-7-fluoroquinolin-8-yl)-methylamino]-N-ethylacetamide.

Molecular Properties

Compound Name2-[(5-amino-7-fluoroquinolin-8-yl)-methylamino]-N-ethylacetamide
PubChem CID83165146
Molecular FormulaC14H17FN4O
Molecular Weight276.31 g/mol
Exact Mass276.14
IUPAC Name2-[(5-amino-7-fluoroquinolin-8-yl)-methylamino]-N-ethylacetamide
SMILESCCNC(=O)CN(C)c1c(F)cc(N)c2cccnc12
InChIInChI=1S/C14H17FN4O/c1-3-17-12(20)8-19(2)14-10(15)7-11(16)9-5-4-6-18-13(9)14/h4-7H,3,8,16H2,1-2H3,(H,17,20)
InChIKeyAPCNVCVEQUZCNM-UHFFFAOYSA-N
XLogP1.53
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-7-fluoroquinolin-8-yl)-methylamino]-N-ethylacetamide?
The IUPAC name of 2-[(5-amino-7-fluoroquinolin-8-yl)-methylamino]-N-ethylacetamide (CID 83165146) is 2-[(5-amino-7-fluoroquinolin-8-yl)-methylamino]-N-ethylacetamide.
What is the SMILES notation for 2-[(5-amino-7-fluoroquinolin-8-yl)-methylamino]-N-ethylacetamide?
The canonical SMILES for 2-[(5-amino-7-fluoroquinolin-8-yl)-methylamino]-N-ethylacetamide is CCNC(=O)CN(C)c1c(F)cc(N)c2cccnc12.
What is the InChIKey of 2-[(5-amino-7-fluoroquinolin-8-yl)-methylamino]-N-ethylacetamide?
The InChIKey is APCNVCVEQUZCNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4O/c1-3-17-12(20)8-19(2)14-10(15)7-11(16)9-5-4-6-18-13(9)14/h4-7H,3,8,16H2,1-2H3,(H,17,20).
What are the key properties of 2-[(5-amino-7-fluoroquinolin-8-yl)-methylamino]-N-ethylacetamide?
2-[(5-amino-7-fluoroquinolin-8-yl)-methylamino]-N-ethylacetamide has a molecular weight of 276.31 g/mol, XLogP of 1.53, 4 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)-methylamino]-N-ethylacetamide is sourced from PubChem (CID 83165146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).