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

C15H19FN4O — CID 83165150

IUPAC2-[(5-amino-7-fluoroquinolin-8-yl)-methylamino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN(C)c1c(F)cc(N)c2cccnc12
InChIInChI=1S/C15H19FN4O/c1-9(2)19-13(21)8-20(3)15-11(16)7-12(17)10-5-4-6-18-14(10)15/h4-7,9H,8,17H2,1-3H3,(H,19,21)
InChIKeyBKBBUHCISLQADO-UHFFFAOYSA-N
MW290.34 g/mol
LogP1.92
Rot. Bonds4

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

2-[(5-amino-7-fluoroquinolin-8-yl)-methylamino]-N-propan-2-ylacetamide (PubChem CID 83165150) 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)-methylamino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[(5-amino-7-fluoroquinolin-8-yl)-methylamino]-N-propan-2-ylacetamide
PubChem CID83165150
Molecular FormulaC15H19FN4O
Molecular Weight290.34 g/mol
Exact Mass290.15
IUPAC Name2-[(5-amino-7-fluoroquinolin-8-yl)-methylamino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN(C)c1c(F)cc(N)c2cccnc12
InChIInChI=1S/C15H19FN4O/c1-9(2)19-13(21)8-20(3)15-11(16)7-12(17)10-5-4-6-18-14(10)15/h4-7,9H,8,17H2,1-3H3,(H,19,21)
InChIKeyBKBBUHCISLQADO-UHFFFAOYSA-N
XLogP1.92
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
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'}

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

Related Compounds

CID 250561
CID 250561
CID 148136
CID 148136
CID 162518
CID 162518
CID 25216936
CID 25216936
CID 79448
CID 79448
CID 3096073
CID 3096073
CID 2963713
CID 2963713
CID 31176
CID 31176
CID 36591
CID 36591
CID 454441
CID 454441
CID 18719622
CID 18719622
CID 2729734
CID 2729734

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-7-fluoroquinolin-8-yl)-methylamino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[(5-amino-7-fluoroquinolin-8-yl)-methylamino]-N-propan-2-ylacetamide (CID 83165150) is 2-[(5-amino-7-fluoroquinolin-8-yl)-methylamino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[(5-amino-7-fluoroquinolin-8-yl)-methylamino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[(5-amino-7-fluoroquinolin-8-yl)-methylamino]-N-propan-2-ylacetamide is CC(C)NC(=O)CN(C)c1c(F)cc(N)c2cccnc12.
What is the InChIKey of 2-[(5-amino-7-fluoroquinolin-8-yl)-methylamino]-N-propan-2-ylacetamide?
The InChIKey is BKBBUHCISLQADO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN4O/c1-9(2)19-13(21)8-20(3)15-11(16)7-12(17)10-5-4-6-18-14(10)15/h4-7,9H,8,17H2,1-3H3,(H,19,21).
What are the key properties of 2-[(5-amino-7-fluoroquinolin-8-yl)-methylamino]-N-propan-2-ylacetamide?
2-[(5-amino-7-fluoroquinolin-8-yl)-methylamino]-N-propan-2-ylacetamide has a molecular weight of 290.34 g/mol, XLogP of 1.92, 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-propan-2-ylacetamide is sourced from PubChem (CID 83165150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).