3-[[4-(6-amino-3-pyridinyl)triazol-1-yl]methyl]-7-fluoro-1H-quinolin-2-one

C17H13FN6O — CID 166364576

IUPAC3-[[4-(6-amino-3-pyridinyl)triazol-1-yl]methyl]-7-fluoro-1H-quinolin-2-one
SMILESNc1ccc(-c2cn(Cc3cc4ccc(F)cc4[nH]c3=O)nn2)cn1
InChIInChI=1S/C17H13FN6O/c18-13-3-1-10-5-12(17(25)21-14(10)6-13)8-24-9-15(22-23-24)11-2-4-16(19)20-7-11/h1-7,9H,8H2,(H2,19,20)(H,21,25)
InChIKeyUDIJTHOPRSXHBI-UHFFFAOYSA-N
MW336.33 g/mol
LogP1.95
Rot. Bonds3

About 3-[[4-(6-amino-3-pyridinyl)triazol-1-yl]methyl]-7-fluoro-1H-quinolin-2-one

3-[[4-(6-amino-3-pyridinyl)triazol-1-yl]methyl]-7-fluoro-1H-quinolin-2-one (PubChem CID 166364576) has the molecular formula C17H13FN6O and a molecular weight of 336.33 g/mol. Its IUPAC name is 3-[[4-(6-amino-3-pyridinyl)triazol-1-yl]methyl]-7-fluoro-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[[4-(6-amino-3-pyridinyl)triazol-1-yl]methyl]-7-fluoro-1H-quinolin-2-one
PubChem CID166364576
Molecular FormulaC17H13FN6O
Molecular Weight336.33 g/mol
Exact Mass336.11
IUPAC Name3-[[4-(6-amino-3-pyridinyl)triazol-1-yl]methyl]-7-fluoro-1H-quinolin-2-one
SMILESNc1ccc(-c2cn(Cc3cc4ccc(F)cc4[nH]c3=O)nn2)cn1
InChIInChI=1S/C17H13FN6O/c18-13-3-1-10-5-12(17(25)21-14(10)6-13)8-24-9-15(22-23-24)11-2-4-16(19)20-7-11/h1-7,9H,8H2,(H2,19,20)(H,21,25)
InChIKeyUDIJTHOPRSXHBI-UHFFFAOYSA-N
XLogP1.95
TPSA102.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.33
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[[4-(6-amino-3-pyridinyl)triazol-1-yl]methyl]-7-fluoro-1H-quinolin-2-one with MolForge

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Related Compounds

Asp-5854
CID 24810000
2-[5-(4-fluorophenyl)-4-pyridin-4-yltriazol-1-yl]-N-(5-phenyl-2-pyridinyl)acetamide
CID 134134596
2-[4-(3-fluoro-4-pyridinyl)-5-phenyltriazol-1-yl]-N-(5-phenyl-2-pyridinyl)acetamide
CID 134138814
3-Amino-n,6-diphenylpyrazine-2-carboxamide
CID 46834296
3-Amino-n-phenyl-6-(pyridin-3-yl)pyrazine-2-carboxamide
CID 52937251
7,8-difluoro-4-[[pyrazin-2-yl(pyridin-2-ylmethyl)amino]methyl]-1H-quinolin-2-one
CID 57396785
N-(5-phenyl-2-pyridinyl)-2-(4-pyridin-3-yltriazol-1-yl)acetamide
CID 134142970
N-[3-[6-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]prop-2-enamide
CID 162668677
US11344549, Example 210
CID 163291167
US11344549, Example 212
CID 165112371
US11344549, Example 214
CID 165112373
US11344549, Example 215
CID 165112374

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(6-amino-3-pyridinyl)triazol-1-yl]methyl]-7-fluoro-1H-quinolin-2-one?
The IUPAC name of 3-[[4-(6-amino-3-pyridinyl)triazol-1-yl]methyl]-7-fluoro-1H-quinolin-2-one (CID 166364576) is 3-[[4-(6-amino-3-pyridinyl)triazol-1-yl]methyl]-7-fluoro-1H-quinolin-2-one.
What is the SMILES notation for 3-[[4-(6-amino-3-pyridinyl)triazol-1-yl]methyl]-7-fluoro-1H-quinolin-2-one?
The canonical SMILES for 3-[[4-(6-amino-3-pyridinyl)triazol-1-yl]methyl]-7-fluoro-1H-quinolin-2-one is Nc1ccc(-c2cn(Cc3cc4ccc(F)cc4[nH]c3=O)nn2)cn1.
What is the InChIKey of 3-[[4-(6-amino-3-pyridinyl)triazol-1-yl]methyl]-7-fluoro-1H-quinolin-2-one?
The InChIKey is UDIJTHOPRSXHBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN6O/c18-13-3-1-10-5-12(17(25)21-14(10)6-13)8-24-9-15(22-23-24)11-2-4-16(19)20-7-11/h1-7,9H,8H2,(H2,19,20)(H,21,25).
What are the key properties of 3-[[4-(6-amino-3-pyridinyl)triazol-1-yl]methyl]-7-fluoro-1H-quinolin-2-one?
3-[[4-(6-amino-3-pyridinyl)triazol-1-yl]methyl]-7-fluoro-1H-quinolin-2-one has a molecular weight of 336.33 g/mol, XLogP of 1.95, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(6-amino-3-pyridinyl)triazol-1-yl]methyl]-7-fluoro-1H-quinolin-2-one is sourced from PubChem (CID 166364576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).