(3R)-6-bromo-4-[(2,6-difluorophenyl)methyl]-3-methyl-1,3-dihydroquinoxalin-2-one

C16H13BrF2N2O — CID 90251652

IUPAC(3R)-6-bromo-4-[(2,6-difluorophenyl)methyl]-3-methyl-1,3-dihydroquinoxalin-2-one
SMILESC[C@@H]1C(=O)Nc2ccc(Br)cc2N1Cc1c(F)cccc1F
InChIInChI=1S/C16H13BrF2N2O/c1-9-16(22)20-14-6-5-10(17)7-15(14)21(9)8-11-12(18)3-2-4-13(11)19/h2-7,9H,8H2,1H3,(H,20,22)/t9-/m1/s1
InChIKeyKDBVQTPUMCKCAB-SECBINFHSA-N
MW367.19 g/mol
LogP4.07
Rot. Bonds2

About (3R)-6-bromo-4-[(2,6-difluorophenyl)methyl]-3-methyl-1,3-dihydroquinoxalin-2-one

(3R)-6-bromo-4-[(2,6-difluorophenyl)methyl]-3-methyl-1,3-dihydroquinoxalin-2-one (PubChem CID 90251652) has the molecular formula C16H13BrF2N2O and a molecular weight of 367.19 g/mol. Its IUPAC name is (3R)-6-bromo-4-[(2,6-difluorophenyl)methyl]-3-methyl-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name(3R)-6-bromo-4-[(2,6-difluorophenyl)methyl]-3-methyl-1,3-dihydroquinoxalin-2-one
PubChem CID90251652
Molecular FormulaC16H13BrF2N2O
Molecular Weight367.19 g/mol
Exact Mass366.02
IUPAC Name(3R)-6-bromo-4-[(2,6-difluorophenyl)methyl]-3-methyl-1,3-dihydroquinoxalin-2-one
SMILESC[C@@H]1C(=O)Nc2ccc(Br)cc2N1Cc1c(F)cccc1F
InChIInChI=1S/C16H13BrF2N2O/c1-9-16(22)20-14-6-5-10(17)7-15(14)21(9)8-11-12(18)3-2-4-13(11)19/h2-7,9H,8H2,1H3,(H,20,22)/t9-/m1/s1
InChIKeyKDBVQTPUMCKCAB-SECBINFHSA-N
XLogP4.07
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.19
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-6-bromo-4-[(2,6-difluorophenyl)methyl]-3-methyl-1,3-dihydroquinoxalin-2-one?
The IUPAC name of (3R)-6-bromo-4-[(2,6-difluorophenyl)methyl]-3-methyl-1,3-dihydroquinoxalin-2-one (CID 90251652) is (3R)-6-bromo-4-[(2,6-difluorophenyl)methyl]-3-methyl-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for (3R)-6-bromo-4-[(2,6-difluorophenyl)methyl]-3-methyl-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for (3R)-6-bromo-4-[(2,6-difluorophenyl)methyl]-3-methyl-1,3-dihydroquinoxalin-2-one is C[C@@H]1C(=O)Nc2ccc(Br)cc2N1Cc1c(F)cccc1F.
What is the InChIKey of (3R)-6-bromo-4-[(2,6-difluorophenyl)methyl]-3-methyl-1,3-dihydroquinoxalin-2-one?
The InChIKey is KDBVQTPUMCKCAB-SECBINFHSA-N. The full InChI is InChI=1S/C16H13BrF2N2O/c1-9-16(22)20-14-6-5-10(17)7-15(14)21(9)8-11-12(18)3-2-4-13(11)19/h2-7,9H,8H2,1H3,(H,20,22)/t9-/m1/s1.
What are the key properties of (3R)-6-bromo-4-[(2,6-difluorophenyl)methyl]-3-methyl-1,3-dihydroquinoxalin-2-one?
(3R)-6-bromo-4-[(2,6-difluorophenyl)methyl]-3-methyl-1,3-dihydroquinoxalin-2-one has a molecular weight of 367.19 g/mol, XLogP of 4.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-6-bromo-4-[(2,6-difluorophenyl)methyl]-3-methyl-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 90251652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).