4-[(2,4-difluorophenyl)methoxymethyl]-8-fluoro-2-methylquinoline

C18H14F3NO — CID 172633644

IUPAC4-[(2,4-difluorophenyl)methoxymethyl]-8-fluoro-2-methylquinoline
SMILESCc1cc(COCc2ccc(F)cc2F)c2cccc(F)c2n1
InChIInChI=1S/C18H14F3NO/c1-11-7-13(15-3-2-4-16(20)18(15)22-11)10-23-9-12-5-6-14(19)8-17(12)21/h2-8H,9-10H2,1H3
InChIKeyCUYSPTSJANUUDF-UHFFFAOYSA-N
MW317.31 g/mol
LogP4.68
Rot. Bonds4

About 4-[(2,4-difluorophenyl)methoxymethyl]-8-fluoro-2-methylquinoline

4-[(2,4-difluorophenyl)methoxymethyl]-8-fluoro-2-methylquinoline (PubChem CID 172633644) has the molecular formula C18H14F3NO and a molecular weight of 317.31 g/mol. Its IUPAC name is 4-[(2,4-difluorophenyl)methoxymethyl]-8-fluoro-2-methylquinoline.

Molecular Properties

Compound Name4-[(2,4-difluorophenyl)methoxymethyl]-8-fluoro-2-methylquinoline
PubChem CID172633644
Molecular FormulaC18H14F3NO
Molecular Weight317.31 g/mol
Exact Mass317.10
IUPAC Name4-[(2,4-difluorophenyl)methoxymethyl]-8-fluoro-2-methylquinoline
SMILESCc1cc(COCc2ccc(F)cc2F)c2cccc(F)c2n1
InChIInChI=1S/C18H14F3NO/c1-11-7-13(15-3-2-4-16(20)18(15)22-11)10-23-9-12-5-6-14(19)8-17(12)21/h2-8H,9-10H2,1H3
InChIKeyCUYSPTSJANUUDF-UHFFFAOYSA-N
XLogP4.68
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.31
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-[(2,4-difluorophenyl)methoxymethyl]-8-fluoro-2-methylquinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(2,4-difluorophenyl)methoxymethyl]-8-fluoro-2-methylquinoline?
The IUPAC name of 4-[(2,4-difluorophenyl)methoxymethyl]-8-fluoro-2-methylquinoline (CID 172633644) is 4-[(2,4-difluorophenyl)methoxymethyl]-8-fluoro-2-methylquinoline.
What is the SMILES notation for 4-[(2,4-difluorophenyl)methoxymethyl]-8-fluoro-2-methylquinoline?
The canonical SMILES for 4-[(2,4-difluorophenyl)methoxymethyl]-8-fluoro-2-methylquinoline is Cc1cc(COCc2ccc(F)cc2F)c2cccc(F)c2n1.
What is the InChIKey of 4-[(2,4-difluorophenyl)methoxymethyl]-8-fluoro-2-methylquinoline?
The InChIKey is CUYSPTSJANUUDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3NO/c1-11-7-13(15-3-2-4-16(20)18(15)22-11)10-23-9-12-5-6-14(19)8-17(12)21/h2-8H,9-10H2,1H3.
What are the key properties of 4-[(2,4-difluorophenyl)methoxymethyl]-8-fluoro-2-methylquinoline?
4-[(2,4-difluorophenyl)methoxymethyl]-8-fluoro-2-methylquinoline has a molecular weight of 317.31 g/mol, XLogP of 4.68, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,4-difluorophenyl)methoxymethyl]-8-fluoro-2-methylquinoline is sourced from PubChem (CID 172633644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).