8-chloro-3-methyl-3-phenyl-2,4-dihydro-1H-quinoxaline

C15H15ClN2 — CID 104839707

IUPAC8-chloro-3-methyl-3-phenyl-2,4-dihydro-1H-quinoxaline
SMILESCC1(c2ccccc2)CNc2c(Cl)cccc2N1
InChIInChI=1S/C15H15ClN2/c1-15(11-6-3-2-4-7-11)10-17-14-12(16)8-5-9-13(14)18-15/h2-9,17-18H,10H2,1H3
InChIKeyUZQFKQJGSSRETB-UHFFFAOYSA-N
MW258.75 g/mol
LogP4.09
Rot. Bonds1

About 8-chloro-3-methyl-3-phenyl-2,4-dihydro-1H-quinoxaline

8-chloro-3-methyl-3-phenyl-2,4-dihydro-1H-quinoxaline (PubChem CID 104839707) has the molecular formula C15H15ClN2 and a molecular weight of 258.75 g/mol. Its IUPAC name is 8-chloro-3-methyl-3-phenyl-2,4-dihydro-1H-quinoxaline.

Molecular Properties

Compound Name8-chloro-3-methyl-3-phenyl-2,4-dihydro-1H-quinoxaline
PubChem CID104839707
Molecular FormulaC15H15ClN2
Molecular Weight258.75 g/mol
Exact Mass258.09
IUPAC Name8-chloro-3-methyl-3-phenyl-2,4-dihydro-1H-quinoxaline
SMILESCC1(c2ccccc2)CNc2c(Cl)cccc2N1
InChIInChI=1S/C15H15ClN2/c1-15(11-6-3-2-4-7-11)10-17-14-12(16)8-5-9-13(14)18-15/h2-9,17-18H,10H2,1H3
InChIKeyUZQFKQJGSSRETB-UHFFFAOYSA-N
XLogP4.09
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.75
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

8-chloro-3-ethyl-3-methyl-2,4-dihydro-1H-quinoxaline
CID 104839702
2-methyl-2-phenyl-3,4-dihydro-1H-pyrazino[2,3-c]quinoline
CID 103965038
5-chloro-2,2-dimethyl-3,4-dihydro-1,4-benzoxazine
CID 115095511
6-chloro-2,2,3,3-tetramethyl-1,5-dihydro-1,5-benzodiazepin-4-one
CID 113459411
5-chloro-2-phenyl-1,2,3,4-tetrahydroquinoxaline
CID 113459426
2-methyl-2-phenyl-1,3-dihydropyrrolo[2,3-c]pyridine
CID 135041202
6-chloro-3,3,4,4-tetramethyl-1,5-dihydro-1,5-benzodiazepin-2-one
CID 79291566
5-chloro-3-methyl-2,4-dihydro-1H-quinolin-3-ol
CID 105451209
9-chloro-3,3-dimethyl-4,5-dihydro-2H-1,5-benzoxazepine
CID 82230621
1-(2,3-dichlorophenyl)-3-methyl-3-phenylpiperazine
CID 64924892
2,4-bis(4-chlorophenyl)-2-methyl-1,3-dihydro-1,5-benzodiazepine
CID 11291964
3,3-dimethyl-8-methylsulfonyl-2,4-dihydro-1H-quinoxaline
CID 82007831

Frequently Asked Questions

What is the IUPAC name of 8-chloro-3-methyl-3-phenyl-2,4-dihydro-1H-quinoxaline?
The IUPAC name of 8-chloro-3-methyl-3-phenyl-2,4-dihydro-1H-quinoxaline (CID 104839707) is 8-chloro-3-methyl-3-phenyl-2,4-dihydro-1H-quinoxaline.
What is the SMILES notation for 8-chloro-3-methyl-3-phenyl-2,4-dihydro-1H-quinoxaline?
The canonical SMILES for 8-chloro-3-methyl-3-phenyl-2,4-dihydro-1H-quinoxaline is CC1(c2ccccc2)CNc2c(Cl)cccc2N1.
What is the InChIKey of 8-chloro-3-methyl-3-phenyl-2,4-dihydro-1H-quinoxaline?
The InChIKey is UZQFKQJGSSRETB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2/c1-15(11-6-3-2-4-7-11)10-17-14-12(16)8-5-9-13(14)18-15/h2-9,17-18H,10H2,1H3.
What are the key properties of 8-chloro-3-methyl-3-phenyl-2,4-dihydro-1H-quinoxaline?
8-chloro-3-methyl-3-phenyl-2,4-dihydro-1H-quinoxaline has a molecular weight of 258.75 g/mol, XLogP of 4.09, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-3-methyl-3-phenyl-2,4-dihydro-1H-quinoxaline is sourced from PubChem (CID 104839707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).