(2,3-diphenylquinoxalin-6-yl)-[(2R)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]methanone

C31H24FN3O — CID 27307310

IUPAC(2,3-diphenylquinoxalin-6-yl)-[(2R)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]methanone
SMILESC[C@@H]1CCc2cc(F)ccc2N1C(=O)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1
InChIInChI=1S/C31H24FN3O/c1-20-12-13-23-18-25(32)15-17-28(23)35(20)31(36)24-14-16-26-27(19-24)34-30(22-10-6-3-7-11-22)29(33-26)21-8-4-2-5-9-21/h2-11,14-20H,12-13H2,1H3/t20-/m1/s1
InChIKeyBUYYSMCQLHMTSM-HXUWFJFHSA-N
MW473.55 g/mol
LogP7.08
Rot. Bonds3

About (2,3-diphenylquinoxalin-6-yl)-[(2R)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]methanone

(2,3-diphenylquinoxalin-6-yl)-[(2R)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]methanone (PubChem CID 27307310) has the molecular formula C31H24FN3O and a molecular weight of 473.55 g/mol. Its IUPAC name is (2,3-diphenylquinoxalin-6-yl)-[(2R)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]methanone.

Molecular Properties

Compound Name(2,3-diphenylquinoxalin-6-yl)-[(2R)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]methanone
PubChem CID27307310
Molecular FormulaC31H24FN3O
Molecular Weight473.55 g/mol
Exact Mass473.19
IUPAC Name(2,3-diphenylquinoxalin-6-yl)-[(2R)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]methanone
SMILESC[C@@H]1CCc2cc(F)ccc2N1C(=O)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1
InChIInChI=1S/C31H24FN3O/c1-20-12-13-23-18-25(32)15-17-28(23)35(20)31(36)24-14-16-26-27(19-24)34-30(22-10-6-3-7-11-22)29(33-26)21-8-4-2-5-9-21/h2-11,14-20H,12-13H2,1H3/t20-/m1/s1
InChIKeyBUYYSMCQLHMTSM-HXUWFJFHSA-N
XLogP7.08
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.55
LogP ≤ 57.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2,3-diphenylquinoxalin-6-yl)-[(2R)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]methanone with MolForge

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Launch Full Analysis

Related Compounds

[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
(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-(3-methyl-2-phenylquinolin-4-yl)methanone
CID 4079910
(3,4-dichlorophenyl)-[(2S)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 873798
(3,5-dimethoxyphenyl)-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 646590
[(2S,7S)-1-benzoyl-2,7-dimethyl-2,3,4,7,8,9-hexahydropyrido[2,3-g]quinolin-6-yl]-phenylmethanone
CID 7053300
(4-chloro-3-nitrophenyl)-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 2933461
3-(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)pyrazine-2-carboxylic acid
CID 19154792
(2,6-dimethoxyphenyl)-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 19685239
[(2R)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-thiophen-2-ylmethanone
CID 845075
[(2R)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-(4-methoxy-3-nitrophenyl)methanone
CID 1245939
[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 71970640
[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 601096

Frequently Asked Questions

What is the IUPAC name of (2,3-diphenylquinoxalin-6-yl)-[(2R)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]methanone?
The IUPAC name of (2,3-diphenylquinoxalin-6-yl)-[(2R)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]methanone (CID 27307310) is (2,3-diphenylquinoxalin-6-yl)-[(2R)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]methanone.
What is the SMILES notation for (2,3-diphenylquinoxalin-6-yl)-[(2R)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]methanone?
The canonical SMILES for (2,3-diphenylquinoxalin-6-yl)-[(2R)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]methanone is C[C@@H]1CCc2cc(F)ccc2N1C(=O)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1.
What is the InChIKey of (2,3-diphenylquinoxalin-6-yl)-[(2R)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]methanone?
The InChIKey is BUYYSMCQLHMTSM-HXUWFJFHSA-N. The full InChI is InChI=1S/C31H24FN3O/c1-20-12-13-23-18-25(32)15-17-28(23)35(20)31(36)24-14-16-26-27(19-24)34-30(22-10-6-3-7-11-22)29(33-26)21-8-4-2-5-9-21/h2-11,14-20H,12-13H2,1H3/t20-/m1/s1.
What are the key properties of (2,3-diphenylquinoxalin-6-yl)-[(2R)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]methanone?
(2,3-diphenylquinoxalin-6-yl)-[(2R)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]methanone has a molecular weight of 473.55 g/mol, XLogP of 7.08, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-diphenylquinoxalin-6-yl)-[(2R)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]methanone is sourced from PubChem (CID 27307310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).