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

C15H15FN4O — CID 83165330

IUPAC7-fluoro-8-N-methyl-8-N-[(5-methyl-1,2-oxazol-3-yl)methyl]quinoline-5,8-diamine
SMILESCc1cc(CN(C)c2c(F)cc(N)c3cccnc23)no1
InChIInChI=1S/C15H15FN4O/c1-9-6-10(19-21-9)8-20(2)15-12(16)7-13(17)11-4-3-5-18-14(11)15/h3-7H,8,17H2,1-2H3
InChIKeyXSJSXSXERQQAQV-UHFFFAOYSA-N
MW286.31 g/mol
LogP2.89
Rot. Bonds3

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

7-fluoro-8-N-methyl-8-N-[(5-methyl-1,2-oxazol-3-yl)methyl]quinoline-5,8-diamine (PubChem CID 83165330) has the molecular formula C15H15FN4O and a molecular weight of 286.31 g/mol. Its IUPAC name is 7-fluoro-8-N-methyl-8-N-[(5-methyl-1,2-oxazol-3-yl)methyl]quinoline-5,8-diamine.

Molecular Properties

Compound Name7-fluoro-8-N-methyl-8-N-[(5-methyl-1,2-oxazol-3-yl)methyl]quinoline-5,8-diamine
PubChem CID83165330
Molecular FormulaC15H15FN4O
Molecular Weight286.31 g/mol
Exact Mass286.12
IUPAC Name7-fluoro-8-N-methyl-8-N-[(5-methyl-1,2-oxazol-3-yl)methyl]quinoline-5,8-diamine
SMILESCc1cc(CN(C)c2c(F)cc(N)c3cccnc23)no1
InChIInChI=1S/C15H15FN4O/c1-9-6-10(19-21-9)8-20(2)15-12(16)7-13(17)11-4-3-5-18-14(11)15/h3-7H,8,17H2,1-2H3
InChIKeyXSJSXSXERQQAQV-UHFFFAOYSA-N
XLogP2.89
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-8-N-methyl-8-N-[(5-methyl-1,2-oxazol-3-yl)methyl]quinoline-5,8-diamine?
The IUPAC name of 7-fluoro-8-N-methyl-8-N-[(5-methyl-1,2-oxazol-3-yl)methyl]quinoline-5,8-diamine (CID 83165330) is 7-fluoro-8-N-methyl-8-N-[(5-methyl-1,2-oxazol-3-yl)methyl]quinoline-5,8-diamine.
What is the SMILES notation for 7-fluoro-8-N-methyl-8-N-[(5-methyl-1,2-oxazol-3-yl)methyl]quinoline-5,8-diamine?
The canonical SMILES for 7-fluoro-8-N-methyl-8-N-[(5-methyl-1,2-oxazol-3-yl)methyl]quinoline-5,8-diamine is Cc1cc(CN(C)c2c(F)cc(N)c3cccnc23)no1.
What is the InChIKey of 7-fluoro-8-N-methyl-8-N-[(5-methyl-1,2-oxazol-3-yl)methyl]quinoline-5,8-diamine?
The InChIKey is XSJSXSXERQQAQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN4O/c1-9-6-10(19-21-9)8-20(2)15-12(16)7-13(17)11-4-3-5-18-14(11)15/h3-7H,8,17H2,1-2H3.
What are the key properties of 7-fluoro-8-N-methyl-8-N-[(5-methyl-1,2-oxazol-3-yl)methyl]quinoline-5,8-diamine?
7-fluoro-8-N-methyl-8-N-[(5-methyl-1,2-oxazol-3-yl)methyl]quinoline-5,8-diamine has a molecular weight of 286.31 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-8-N-methyl-8-N-[(5-methyl-1,2-oxazol-3-yl)methyl]quinoline-5,8-diamine is sourced from PubChem (CID 83165330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).