2-[(5-amino-7-fluoroquinolin-8-yl)amino]-N-propan-2-ylacetamide

C14H17FN4O — CID 83163707

IUPAC2-[(5-amino-7-fluoroquinolin-8-yl)amino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CNc1c(F)cc(N)c2cccnc12
InChIInChI=1S/C14H17FN4O/c1-8(2)19-12(20)7-18-14-10(15)6-11(16)9-4-3-5-17-13(9)14/h3-6,8,18H,7,16H2,1-2H3,(H,19,20)
InChIKeyYOFMERVXYKRQPO-UHFFFAOYSA-N
MW276.31 g/mol
LogP1.89
Rot. Bonds4

About 2-[(5-amino-7-fluoroquinolin-8-yl)amino]-N-propan-2-ylacetamide

2-[(5-amino-7-fluoroquinolin-8-yl)amino]-N-propan-2-ylacetamide (PubChem CID 83163707) 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-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[(5-amino-7-fluoroquinolin-8-yl)amino]-N-propan-2-ylacetamide
PubChem CID83163707
Molecular FormulaC14H17FN4O
Molecular Weight276.31 g/mol
Exact Mass276.14
IUPAC Name2-[(5-amino-7-fluoroquinolin-8-yl)amino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CNc1c(F)cc(N)c2cccnc12
InChIInChI=1S/C14H17FN4O/c1-8(2)19-12(20)7-18-14-10(15)6-11(16)9-4-3-5-17-13(9)14/h3-6,8,18H,7,16H2,1-2H3,(H,19,20)
InChIKeyYOFMERVXYKRQPO-UHFFFAOYSA-N
XLogP1.89
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[(5-amino-7-fluoroquinolin-8-yl)amino]-N-propan-2-ylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-7-fluoroquinolin-8-yl)amino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[(5-amino-7-fluoroquinolin-8-yl)amino]-N-propan-2-ylacetamide (CID 83163707) is 2-[(5-amino-7-fluoroquinolin-8-yl)amino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[(5-amino-7-fluoroquinolin-8-yl)amino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[(5-amino-7-fluoroquinolin-8-yl)amino]-N-propan-2-ylacetamide is CC(C)NC(=O)CNc1c(F)cc(N)c2cccnc12.
What is the InChIKey of 2-[(5-amino-7-fluoroquinolin-8-yl)amino]-N-propan-2-ylacetamide?
The InChIKey is YOFMERVXYKRQPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4O/c1-8(2)19-12(20)7-18-14-10(15)6-11(16)9-4-3-5-17-13(9)14/h3-6,8,18H,7,16H2,1-2H3,(H,19,20).
What are the key properties of 2-[(5-amino-7-fluoroquinolin-8-yl)amino]-N-propan-2-ylacetamide?
2-[(5-amino-7-fluoroquinolin-8-yl)amino]-N-propan-2-ylacetamide has a molecular weight of 276.31 g/mol, XLogP of 1.89, 4 rotatable bonds, 3 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-propan-2-ylacetamide is sourced from PubChem (CID 83163707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).