4-[[(3-cyano-6-fluoro-8-methylquinolin-4-yl)amino]methyl]oxane-4-carboxamide

C18H19FN4O2 — CID 133430686

IUPAC4-[[(3-cyano-6-fluoro-8-methylquinolin-4-yl)amino]methyl]oxane-4-carboxamide
SMILESCc1cc(F)cc2c(NCC3(C(N)=O)CCOCC3)c(C#N)cnc12
InChIInChI=1S/C18H19FN4O2/c1-11-6-13(19)7-14-15(11)22-9-12(8-20)16(14)23-10-18(17(21)24)2-4-25-5-3-18/h6-7,9H,2-5,10H2,1H3,(H2,21,24)(H,22,23)
InChIKeyUUTIMQVUTCGPCY-UHFFFAOYSA-N
MW342.37 g/mol
LogP2.25
Rot. Bonds4

About 4-[[(3-cyano-6-fluoro-8-methylquinolin-4-yl)amino]methyl]oxane-4-carboxamide

4-[[(3-cyano-6-fluoro-8-methylquinolin-4-yl)amino]methyl]oxane-4-carboxamide (PubChem CID 133430686) has the molecular formula C18H19FN4O2 and a molecular weight of 342.37 g/mol. Its IUPAC name is 4-[[(3-cyano-6-fluoro-8-methylquinolin-4-yl)amino]methyl]oxane-4-carboxamide.

Molecular Properties

Compound Name4-[[(3-cyano-6-fluoro-8-methylquinolin-4-yl)amino]methyl]oxane-4-carboxamide
PubChem CID133430686
Molecular FormulaC18H19FN4O2
Molecular Weight342.37 g/mol
Exact Mass342.15
IUPAC Name4-[[(3-cyano-6-fluoro-8-methylquinolin-4-yl)amino]methyl]oxane-4-carboxamide
SMILESCc1cc(F)cc2c(NCC3(C(N)=O)CCOCC3)c(C#N)cnc12
InChIInChI=1S/C18H19FN4O2/c1-11-6-13(19)7-14-15(11)22-9-12(8-20)16(14)23-10-18(17(21)24)2-4-25-5-3-18/h6-7,9H,2-5,10H2,1H3,(H2,21,24)(H,22,23)
InChIKeyUUTIMQVUTCGPCY-UHFFFAOYSA-N
XLogP2.25
TPSA101.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[(3-cyano-6-fluoro-8-methylquinolin-4-yl)amino]methyl]oxane-4-carboxamide?
The IUPAC name of 4-[[(3-cyano-6-fluoro-8-methylquinolin-4-yl)amino]methyl]oxane-4-carboxamide (CID 133430686) is 4-[[(3-cyano-6-fluoro-8-methylquinolin-4-yl)amino]methyl]oxane-4-carboxamide.
What is the SMILES notation for 4-[[(3-cyano-6-fluoro-8-methylquinolin-4-yl)amino]methyl]oxane-4-carboxamide?
The canonical SMILES for 4-[[(3-cyano-6-fluoro-8-methylquinolin-4-yl)amino]methyl]oxane-4-carboxamide is Cc1cc(F)cc2c(NCC3(C(N)=O)CCOCC3)c(C#N)cnc12.
What is the InChIKey of 4-[[(3-cyano-6-fluoro-8-methylquinolin-4-yl)amino]methyl]oxane-4-carboxamide?
The InChIKey is UUTIMQVUTCGPCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4O2/c1-11-6-13(19)7-14-15(11)22-9-12(8-20)16(14)23-10-18(17(21)24)2-4-25-5-3-18/h6-7,9H,2-5,10H2,1H3,(H2,21,24)(H,22,23).
What are the key properties of 4-[[(3-cyano-6-fluoro-8-methylquinolin-4-yl)amino]methyl]oxane-4-carboxamide?
4-[[(3-cyano-6-fluoro-8-methylquinolin-4-yl)amino]methyl]oxane-4-carboxamide has a molecular weight of 342.37 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3-cyano-6-fluoro-8-methylquinolin-4-yl)amino]methyl]oxane-4-carboxamide is sourced from PubChem (CID 133430686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).