(2-fluoro-3-methyl-6-phenylphenyl)-[(1R)-8-(6-fluoroquinoxalin-2-yl)-3,8-diazabicyclo[4.2.0]octan-3-yl]methanone

C28H24F2N4O — CID 67982399

IUPAC(2-fluoro-3-methyl-6-phenylphenyl)-[(1R)-8-(6-fluoroquinoxalin-2-yl)-3,8-diazabicyclo[4.2.0]octan-3-yl]methanone
SMILESCc1ccc(-c2ccccc2)c(C(=O)N2CCC3CN(c4cnc5cc(F)ccc5n4)[C@H]3C2)c1F
InChIInChI=1S/C28H24F2N4O/c1-17-7-9-21(18-5-3-2-4-6-18)26(27(17)30)28(35)33-12-11-19-15-34(24(19)16-33)25-14-31-23-13-20(29)8-10-22(23)32-25/h2-10,13-14,19,24H,11-12,15-16H2,1H3/t19?,24-/m0/s1
InChIKeyCKYNRVYLCRHYMX-WIIYFNMSSA-N
MW470.52 g/mol
LogP5.23
Rot. Bonds3

About (2-fluoro-3-methyl-6-phenylphenyl)-[(1R)-8-(6-fluoroquinoxalin-2-yl)-3,8-diazabicyclo[4.2.0]octan-3-yl]methanone

(2-fluoro-3-methyl-6-phenylphenyl)-[(1R)-8-(6-fluoroquinoxalin-2-yl)-3,8-diazabicyclo[4.2.0]octan-3-yl]methanone (PubChem CID 67982399) has the molecular formula C28H24F2N4O and a molecular weight of 470.52 g/mol. Its IUPAC name is (2-fluoro-3-methyl-6-phenylphenyl)-[(1R)-8-(6-fluoroquinoxalin-2-yl)-3,8-diazabicyclo[4.2.0]octan-3-yl]methanone.

Molecular Properties

Compound Name(2-fluoro-3-methyl-6-phenylphenyl)-[(1R)-8-(6-fluoroquinoxalin-2-yl)-3,8-diazabicyclo[4.2.0]octan-3-yl]methanone
PubChem CID67982399
Molecular FormulaC28H24F2N4O
Molecular Weight470.52 g/mol
Exact Mass470.19
IUPAC Name(2-fluoro-3-methyl-6-phenylphenyl)-[(1R)-8-(6-fluoroquinoxalin-2-yl)-3,8-diazabicyclo[4.2.0]octan-3-yl]methanone
SMILESCc1ccc(-c2ccccc2)c(C(=O)N2CCC3CN(c4cnc5cc(F)ccc5n4)[C@H]3C2)c1F
InChIInChI=1S/C28H24F2N4O/c1-17-7-9-21(18-5-3-2-4-6-18)26(27(17)30)28(35)33-12-11-19-15-34(24(19)16-33)25-14-31-23-13-20(29)8-10-22(23)32-25/h2-10,13-14,19,24H,11-12,15-16H2,1H3/t19?,24-/m0/s1
InChIKeyCKYNRVYLCRHYMX-WIIYFNMSSA-N
XLogP5.23
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.52
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2-fluoro-3-methyl-6-phenylphenyl)-[(1R)-8-(6-fluoroquinoxalin-2-yl)-3,8-diazabicyclo[4.2.0]octan-3-yl]methanone with MolForge

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Related Compounds

(2-fluoro-3-methyl-6-phenylphenyl)-[(1S)-8-(8-fluoroquinoxalin-2-yl)-3,8-diazabicyclo[4.2.0]octan-3-yl]methanone
CID 67982926
[(1R,6S)-8-(7-chloroquinoxalin-2-yl)-3,8-diazabicyclo[4.2.0]octan-3-yl]-(5-methyl-2-phenylphenyl)methanone
CID 57405478
[(1R,6S)-8-(5-fluoro-1,3-benzoxazol-2-yl)-3,8-diazabicyclo[4.2.0]octan-3-yl]-(5-methyl-2-phenylphenyl)methanone
CID 57405144
[(1R,6S)-8-(7-chloroquinoxalin-2-yl)-3,8-diazabicyclo[4.2.0]octan-3-yl]-(5-methyl-2-pyridin-2-ylphenyl)methanone
CID 57405986
[8-(4,6-dimethylpyrimidin-2-yl)-3,8-diazabicyclo[4.2.0]octan-3-yl]-(5-fluoro-2-pyridin-2-ylphenyl)methanone
CID 77283420
(5-methyl-3-phenyl-1,2-oxazol-4-yl)-[(1R,6S)-8-(2-phenylpyrimidin-4-yl)-3,8-diazabicyclo[4.2.0]octan-3-yl]methanone
CID 67116859
[(1R,6S)-8-quinoxalin-2-yl-3,8-diazabicyclo[4.2.0]octan-3-yl]-(2-thiophen-2-ylphenyl)methanone
CID 51346962
tert-butyl 3-(6-fluoroquinoxalin-2-yl)-3,8-diazabicyclo[4.2.0]octane-8-carboxylate
CID 67983619
[4-fluoro-2-(triazol-2-yl)phenyl]-[8-(6-methylpyrazin-2-yl)-3,8-diazabicyclo[4.2.0]octan-3-yl]methanone
CID 75954312
[2-fluoro-6-(triazol-2-yl)phenyl]-[(1R,6S)-8-(6-methylpyrazin-2-yl)-3,8-diazabicyclo[4.2.0]octan-3-yl]methanone
CID 52920287
[2-fluoro-6-(triazol-2-yl)phenyl]-[8-(6-methylpyrazin-2-yl)-3,8-diazabicyclo[4.2.0]octan-3-yl]methanone
CID 75954311
N-[(3R)-1-(2,3-dimethyl-6-phenylbenzoyl)piperidin-3-yl]-1H-pyrrolo[3,2-b]pyridine-6-carboxamide
CID 141248187

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-3-methyl-6-phenylphenyl)-[(1R)-8-(6-fluoroquinoxalin-2-yl)-3,8-diazabicyclo[4.2.0]octan-3-yl]methanone?
The IUPAC name of (2-fluoro-3-methyl-6-phenylphenyl)-[(1R)-8-(6-fluoroquinoxalin-2-yl)-3,8-diazabicyclo[4.2.0]octan-3-yl]methanone (CID 67982399) is (2-fluoro-3-methyl-6-phenylphenyl)-[(1R)-8-(6-fluoroquinoxalin-2-yl)-3,8-diazabicyclo[4.2.0]octan-3-yl]methanone.
What is the SMILES notation for (2-fluoro-3-methyl-6-phenylphenyl)-[(1R)-8-(6-fluoroquinoxalin-2-yl)-3,8-diazabicyclo[4.2.0]octan-3-yl]methanone?
The canonical SMILES for (2-fluoro-3-methyl-6-phenylphenyl)-[(1R)-8-(6-fluoroquinoxalin-2-yl)-3,8-diazabicyclo[4.2.0]octan-3-yl]methanone is Cc1ccc(-c2ccccc2)c(C(=O)N2CCC3CN(c4cnc5cc(F)ccc5n4)[C@H]3C2)c1F.
What is the InChIKey of (2-fluoro-3-methyl-6-phenylphenyl)-[(1R)-8-(6-fluoroquinoxalin-2-yl)-3,8-diazabicyclo[4.2.0]octan-3-yl]methanone?
The InChIKey is CKYNRVYLCRHYMX-WIIYFNMSSA-N. The full InChI is InChI=1S/C28H24F2N4O/c1-17-7-9-21(18-5-3-2-4-6-18)26(27(17)30)28(35)33-12-11-19-15-34(24(19)16-33)25-14-31-23-13-20(29)8-10-22(23)32-25/h2-10,13-14,19,24H,11-12,15-16H2,1H3/t19?,24-/m0/s1.
What are the key properties of (2-fluoro-3-methyl-6-phenylphenyl)-[(1R)-8-(6-fluoroquinoxalin-2-yl)-3,8-diazabicyclo[4.2.0]octan-3-yl]methanone?
(2-fluoro-3-methyl-6-phenylphenyl)-[(1R)-8-(6-fluoroquinoxalin-2-yl)-3,8-diazabicyclo[4.2.0]octan-3-yl]methanone has a molecular weight of 470.52 g/mol, XLogP of 5.23, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-3-methyl-6-phenylphenyl)-[(1R)-8-(6-fluoroquinoxalin-2-yl)-3,8-diazabicyclo[4.2.0]octan-3-yl]methanone is sourced from PubChem (CID 67982399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).