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

C14H17FN4O — CID 83165995

IUPAC2-[(5-amino-7-fluoroquinolin-8-yl)amino]-N,N-dimethylpropanamide
SMILESCC(Nc1c(F)cc(N)c2cccnc12)C(=O)N(C)C
InChIInChI=1S/C14H17FN4O/c1-8(14(20)19(2)3)18-13-10(15)7-11(16)9-5-4-6-17-12(9)13/h4-8,18H,16H2,1-3H3
InChIKeyFOYPMNWPBLJZQY-UHFFFAOYSA-N
MW276.31 g/mol
LogP1.84
Rot. Bonds3

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

2-[(5-amino-7-fluoroquinolin-8-yl)amino]-N,N-dimethylpropanamide (PubChem CID 83165995) 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)amino]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name2-[(5-amino-7-fluoroquinolin-8-yl)amino]-N,N-dimethylpropanamide
PubChem CID83165995
Molecular FormulaC14H17FN4O
Molecular Weight276.31 g/mol
Exact Mass276.14
IUPAC Name2-[(5-amino-7-fluoroquinolin-8-yl)amino]-N,N-dimethylpropanamide
SMILESCC(Nc1c(F)cc(N)c2cccnc12)C(=O)N(C)C
InChIInChI=1S/C14H17FN4O/c1-8(14(20)19(2)3)18-13-10(15)7-11(16)9-5-4-6-17-12(9)13/h4-8,18H,16H2,1-3H3
InChIKeyFOYPMNWPBLJZQY-UHFFFAOYSA-N
XLogP1.84
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 51.84
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)amino]-N,N-dimethylpropanamide?
The IUPAC name of 2-[(5-amino-7-fluoroquinolin-8-yl)amino]-N,N-dimethylpropanamide (CID 83165995) is 2-[(5-amino-7-fluoroquinolin-8-yl)amino]-N,N-dimethylpropanamide.
What is the SMILES notation for 2-[(5-amino-7-fluoroquinolin-8-yl)amino]-N,N-dimethylpropanamide?
The canonical SMILES for 2-[(5-amino-7-fluoroquinolin-8-yl)amino]-N,N-dimethylpropanamide is CC(Nc1c(F)cc(N)c2cccnc12)C(=O)N(C)C.
What is the InChIKey of 2-[(5-amino-7-fluoroquinolin-8-yl)amino]-N,N-dimethylpropanamide?
The InChIKey is FOYPMNWPBLJZQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4O/c1-8(14(20)19(2)3)18-13-10(15)7-11(16)9-5-4-6-17-12(9)13/h4-8,18H,16H2,1-3H3.
What are the key properties of 2-[(5-amino-7-fluoroquinolin-8-yl)amino]-N,N-dimethylpropanamide?
2-[(5-amino-7-fluoroquinolin-8-yl)amino]-N,N-dimethylpropanamide has a molecular weight of 276.31 g/mol, XLogP of 1.84, 3 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)amino]-N,N-dimethylpropanamide is sourced from PubChem (CID 83165995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).