7-fluoro-4-[(3-fluorocyclobutyl)-methylamino]-8-(2-fluoro-3,5-dimethylphenyl)-N-methylquinoline-3-carboxamide

C24H24F3N3O — CID 163389132

IUPAC7-fluoro-4-[(3-fluorocyclobutyl)-methylamino]-8-(2-fluoro-3,5-dimethylphenyl)-N-methylquinoline-3-carboxamide
SMILESCNC(=O)c1cnc2c(-c3cc(C)cc(C)c3F)c(F)ccc2c1N(C)C1CC(F)C1
InChIInChI=1S/C24H24F3N3O/c1-12-7-13(2)21(27)17(8-12)20-19(26)6-5-16-22(20)29-11-18(24(31)28-3)23(16)30(4)15-9-14(25)10-15/h5-8,11,14-15H,9-10H2,1-4H3,(H,28,31)
InChIKeyJRPOYKDTOPRGIH-UHFFFAOYSA-N
MW427.47 g/mol
LogP5.09
Rot. Bonds4

About 7-fluoro-4-[(3-fluorocyclobutyl)-methylamino]-8-(2-fluoro-3,5-dimethylphenyl)-N-methylquinoline-3-carboxamide

7-fluoro-4-[(3-fluorocyclobutyl)-methylamino]-8-(2-fluoro-3,5-dimethylphenyl)-N-methylquinoline-3-carboxamide (PubChem CID 163389132) has the molecular formula C24H24F3N3O and a molecular weight of 427.47 g/mol. Its IUPAC name is 7-fluoro-4-[(3-fluorocyclobutyl)-methylamino]-8-(2-fluoro-3,5-dimethylphenyl)-N-methylquinoline-3-carboxamide.

Molecular Properties

Compound Name7-fluoro-4-[(3-fluorocyclobutyl)-methylamino]-8-(2-fluoro-3,5-dimethylphenyl)-N-methylquinoline-3-carboxamide
PubChem CID163389132
Molecular FormulaC24H24F3N3O
Molecular Weight427.47 g/mol
Exact Mass427.19
IUPAC Name7-fluoro-4-[(3-fluorocyclobutyl)-methylamino]-8-(2-fluoro-3,5-dimethylphenyl)-N-methylquinoline-3-carboxamide
SMILESCNC(=O)c1cnc2c(-c3cc(C)cc(C)c3F)c(F)ccc2c1N(C)C1CC(F)C1
InChIInChI=1S/C24H24F3N3O/c1-12-7-13(2)21(27)17(8-12)20-19(26)6-5-16-22(20)29-11-18(24(31)28-3)23(16)30(4)15-9-14(25)10-15/h5-8,11,14-15H,9-10H2,1-4H3,(H,28,31)
InChIKeyJRPOYKDTOPRGIH-UHFFFAOYSA-N
XLogP5.09
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.47
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 7-fluoro-4-[(3-fluorocyclobutyl)-methylamino]-8-(2-fluoro-3,5-dimethylphenyl)-N-methylquinoline-3-carboxamide 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 7-fluoro-4-[(3-fluorocyclobutyl)-methylamino]-8-(2-fluoro-3,5-dimethylphenyl)-N-methylquinoline-3-carboxamide?
The IUPAC name of 7-fluoro-4-[(3-fluorocyclobutyl)-methylamino]-8-(2-fluoro-3,5-dimethylphenyl)-N-methylquinoline-3-carboxamide (CID 163389132) is 7-fluoro-4-[(3-fluorocyclobutyl)-methylamino]-8-(2-fluoro-3,5-dimethylphenyl)-N-methylquinoline-3-carboxamide.
What is the SMILES notation for 7-fluoro-4-[(3-fluorocyclobutyl)-methylamino]-8-(2-fluoro-3,5-dimethylphenyl)-N-methylquinoline-3-carboxamide?
The canonical SMILES for 7-fluoro-4-[(3-fluorocyclobutyl)-methylamino]-8-(2-fluoro-3,5-dimethylphenyl)-N-methylquinoline-3-carboxamide is CNC(=O)c1cnc2c(-c3cc(C)cc(C)c3F)c(F)ccc2c1N(C)C1CC(F)C1.
What is the InChIKey of 7-fluoro-4-[(3-fluorocyclobutyl)-methylamino]-8-(2-fluoro-3,5-dimethylphenyl)-N-methylquinoline-3-carboxamide?
The InChIKey is JRPOYKDTOPRGIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F3N3O/c1-12-7-13(2)21(27)17(8-12)20-19(26)6-5-16-22(20)29-11-18(24(31)28-3)23(16)30(4)15-9-14(25)10-15/h5-8,11,14-15H,9-10H2,1-4H3,(H,28,31).
What are the key properties of 7-fluoro-4-[(3-fluorocyclobutyl)-methylamino]-8-(2-fluoro-3,5-dimethylphenyl)-N-methylquinoline-3-carboxamide?
7-fluoro-4-[(3-fluorocyclobutyl)-methylamino]-8-(2-fluoro-3,5-dimethylphenyl)-N-methylquinoline-3-carboxamide has a molecular weight of 427.47 g/mol, XLogP of 5.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-4-[(3-fluorocyclobutyl)-methylamino]-8-(2-fluoro-3,5-dimethylphenyl)-N-methylquinoline-3-carboxamide is sourced from PubChem (CID 163389132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).