1-(8-fluoro-2-methylquinolin-4-yl)-3-methylazetidine-3-carboxamide

C15H16FN3O — CID 138001197

IUPAC1-(8-fluoro-2-methylquinolin-4-yl)-3-methylazetidine-3-carboxamide
SMILESCc1cc(N2CC(C)(C(N)=O)C2)c2cccc(F)c2n1
InChIInChI=1S/C15H16FN3O/c1-9-6-12(19-7-15(2,8-19)14(17)20)10-4-3-5-11(16)13(10)18-9/h3-6H,7-8H2,1-2H3,(H2,17,20)
InChIKeyWTOIXBKEXOWPQD-UHFFFAOYSA-N
MW273.31 g/mol
LogP1.99
Rot. Bonds2

About 1-(8-fluoro-2-methylquinolin-4-yl)-3-methylazetidine-3-carboxamide

1-(8-fluoro-2-methylquinolin-4-yl)-3-methylazetidine-3-carboxamide (PubChem CID 138001197) has the molecular formula C15H16FN3O and a molecular weight of 273.31 g/mol. Its IUPAC name is 1-(8-fluoro-2-methylquinolin-4-yl)-3-methylazetidine-3-carboxamide.

Molecular Properties

Compound Name1-(8-fluoro-2-methylquinolin-4-yl)-3-methylazetidine-3-carboxamide
PubChem CID138001197
Molecular FormulaC15H16FN3O
Molecular Weight273.31 g/mol
Exact Mass273.13
IUPAC Name1-(8-fluoro-2-methylquinolin-4-yl)-3-methylazetidine-3-carboxamide
SMILESCc1cc(N2CC(C)(C(N)=O)C2)c2cccc(F)c2n1
InChIInChI=1S/C15H16FN3O/c1-9-6-12(19-7-15(2,8-19)14(17)20)10-4-3-5-11(16)13(10)18-9/h3-6H,7-8H2,1-2H3,(H2,17,20)
InChIKeyWTOIXBKEXOWPQD-UHFFFAOYSA-N
XLogP1.99
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(8-fluoro-2-methylquinolin-4-yl)-3-methylazetidine-3-carboxamide?
The IUPAC name of 1-(8-fluoro-2-methylquinolin-4-yl)-3-methylazetidine-3-carboxamide (CID 138001197) is 1-(8-fluoro-2-methylquinolin-4-yl)-3-methylazetidine-3-carboxamide.
What is the SMILES notation for 1-(8-fluoro-2-methylquinolin-4-yl)-3-methylazetidine-3-carboxamide?
The canonical SMILES for 1-(8-fluoro-2-methylquinolin-4-yl)-3-methylazetidine-3-carboxamide is Cc1cc(N2CC(C)(C(N)=O)C2)c2cccc(F)c2n1.
What is the InChIKey of 1-(8-fluoro-2-methylquinolin-4-yl)-3-methylazetidine-3-carboxamide?
The InChIKey is WTOIXBKEXOWPQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O/c1-9-6-12(19-7-15(2,8-19)14(17)20)10-4-3-5-11(16)13(10)18-9/h3-6H,7-8H2,1-2H3,(H2,17,20).
What are the key properties of 1-(8-fluoro-2-methylquinolin-4-yl)-3-methylazetidine-3-carboxamide?
1-(8-fluoro-2-methylquinolin-4-yl)-3-methylazetidine-3-carboxamide has a molecular weight of 273.31 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-fluoro-2-methylquinolin-4-yl)-3-methylazetidine-3-carboxamide is sourced from PubChem (CID 138001197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).