8-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-7-fluoroquinoline-5,8-diamine

C15H15FN4O — CID 106369370

IUPAC8-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-7-fluoroquinoline-5,8-diamine
SMILESCCc1cnc(CNc2c(F)cc(N)c3cccnc23)o1
InChIInChI=1S/C15H15FN4O/c1-2-9-7-19-13(21-9)8-20-15-11(16)6-12(17)10-4-3-5-18-14(10)15/h3-7,20H,2,8,17H2,1H3
InChIKeyDXLZWBUFJMSTNA-UHFFFAOYSA-N
MW286.31 g/mol
LogP3.12
Rot. Bonds4

About 8-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-7-fluoroquinoline-5,8-diamine

8-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-7-fluoroquinoline-5,8-diamine (PubChem CID 106369370) has the molecular formula C15H15FN4O and a molecular weight of 286.31 g/mol. Its IUPAC name is 8-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-7-fluoroquinoline-5,8-diamine.

Molecular Properties

Compound Name8-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-7-fluoroquinoline-5,8-diamine
PubChem CID106369370
Molecular FormulaC15H15FN4O
Molecular Weight286.31 g/mol
Exact Mass286.12
IUPAC Name8-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-7-fluoroquinoline-5,8-diamine
SMILESCCc1cnc(CNc2c(F)cc(N)c3cccnc23)o1
InChIInChI=1S/C15H15FN4O/c1-2-9-7-19-13(21-9)8-20-15-11(16)6-12(17)10-4-3-5-18-14(10)15/h3-7,20H,2,8,17H2,1H3
InChIKeyDXLZWBUFJMSTNA-UHFFFAOYSA-N
XLogP3.12
TPSA76.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 8-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-7-fluoroquinoline-5,8-diamine with MolForge

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Related Compounds

2,4-dimethyl-N-(8-pyrrolidin-1-ylquinolin-5-yl)-1,3-oxazole-5-carboxamide
CID 131911967
2-[4-[(7-Fluoroquinolin-4-yl)amino]pentyl-(1,3-oxazol-2-ylmethyl)amino]ethanol
CID 167200255
2-[(5-amino-7-fluoroquinolin-8-yl)amino]-N-propan-2-ylacetamide
CID 83163707
2-[(5-amino-7-fluoroquinolin-8-yl)amino]-N-ethylpropanamide
CID 83163924
2-[(5-amino-7-fluoroquinolin-8-yl)amino]-N-propylpropanamide
CID 83163927
2-[(5-amino-7-fluoroquinolin-8-yl)-methylamino]-N-propylacetamide
CID 83164789
2-[(5-amino-7-fluoroquinolin-8-yl)-methylamino]-N-ethylacetamide
CID 83165146
2-[(5-amino-7-fluoroquinolin-8-yl)-ethylamino]-N-ethylacetamide
CID 83165492
2-[(5-amino-7-fluoroquinolin-8-yl)amino]-N-methylpropanamide
CID 83165663
2-[(5-amino-7-fluoroquinolin-8-yl)amino]-N-ethylacetamide
CID 83166144
2-[(5-amino-7-fluoroquinolin-8-yl)amino]-N-propylacetamide
CID 83166320
2-[(5-amino-7-fluoroquinolin-8-yl)amino]-N-methylacetamide
CID 83174416

Frequently Asked Questions

What is the IUPAC name of 8-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-7-fluoroquinoline-5,8-diamine?
The IUPAC name of 8-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-7-fluoroquinoline-5,8-diamine (CID 106369370) is 8-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-7-fluoroquinoline-5,8-diamine.
What is the SMILES notation for 8-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-7-fluoroquinoline-5,8-diamine?
The canonical SMILES for 8-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-7-fluoroquinoline-5,8-diamine is CCc1cnc(CNc2c(F)cc(N)c3cccnc23)o1.
What is the InChIKey of 8-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-7-fluoroquinoline-5,8-diamine?
The InChIKey is DXLZWBUFJMSTNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN4O/c1-2-9-7-19-13(21-9)8-20-15-11(16)6-12(17)10-4-3-5-18-14(10)15/h3-7,20H,2,8,17H2,1H3.
What are the key properties of 8-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-7-fluoroquinoline-5,8-diamine?
8-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-7-fluoroquinoline-5,8-diamine has a molecular weight of 286.31 g/mol, XLogP of 3.12, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-7-fluoroquinoline-5,8-diamine is sourced from PubChem (CID 106369370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).