[3-(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone

C28H26F2N2O2 — CID 4200957

IUPAC[3-(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCC1CCc2cc(F)ccc2N1C(=O)c1cccc(C(=O)N2c3ccc(F)cc3CCC2C)c1
InChIInChI=1S/C28H26F2N2O2/c1-17-6-8-19-15-23(29)10-12-25(19)31(17)27(33)21-4-3-5-22(14-21)28(34)32-18(2)7-9-20-16-24(30)11-13-26(20)32/h3-5,10-18H,6-9H2,1-2H3
InChIKeyHTTYVQKXCBSPQO-UHFFFAOYSA-N
MW460.52 g/mol
LogP5.93
Rot. Bonds2

About [3-(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone

[3-(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone (PubChem CID 4200957) has the molecular formula C28H26F2N2O2 and a molecular weight of 460.52 g/mol. Its IUPAC name is [3-(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone.

Molecular Properties

Compound Name[3-(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
PubChem CID4200957
Molecular FormulaC28H26F2N2O2
Molecular Weight460.52 g/mol
Exact Mass460.20
IUPAC Name[3-(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCC1CCc2cc(F)ccc2N1C(=O)c1cccc(C(=O)N2c3ccc(F)cc3CCC2C)c1
InChIInChI=1S/C28H26F2N2O2/c1-17-6-8-19-15-23(29)10-12-25(19)31(17)27(33)21-4-3-5-22(14-21)28(34)32-18(2)7-9-20-16-24(30)11-13-26(20)32/h3-5,10-18H,6-9H2,1-2H3
InChIKeyHTTYVQKXCBSPQO-UHFFFAOYSA-N
XLogP5.93
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.52
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze [3-(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone 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 [3-(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
The IUPAC name of [3-(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone (CID 4200957) is [3-(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone.
What is the SMILES notation for [3-(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
The canonical SMILES for [3-(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone is CC1CCc2cc(F)ccc2N1C(=O)c1cccc(C(=O)N2c3ccc(F)cc3CCC2C)c1.
What is the InChIKey of [3-(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
The InChIKey is HTTYVQKXCBSPQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26F2N2O2/c1-17-6-8-19-15-23(29)10-12-25(19)31(17)27(33)21-4-3-5-22(14-21)28(34)32-18(2)7-9-20-16-24(30)11-13-26(20)32/h3-5,10-18H,6-9H2,1-2H3.
What are the key properties of [3-(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
[3-(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone has a molecular weight of 460.52 g/mol, XLogP of 5.93, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone is sourced from PubChem (CID 4200957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).