2-(2,4-dichlorophenyl)-1-quinoxalin-2-ylethanone

C16H10Cl2N2O — CID 107356679

IUPAC2-(2,4-dichlorophenyl)-1-quinoxalin-2-ylethanone
SMILESO=C(Cc1ccc(Cl)cc1Cl)c1cnc2ccccc2n1
InChIInChI=1S/C16H10Cl2N2O/c17-11-6-5-10(12(18)8-11)7-16(21)15-9-19-13-3-1-2-4-14(13)20-15/h1-6,8-9H,7H2
InChIKeyCIZQIUNGBHZHAW-UHFFFAOYSA-N
MW317.18 g/mol
LogP4.36
Rot. Bonds3

About 2-(2,4-dichlorophenyl)-1-quinoxalin-2-ylethanone

2-(2,4-dichlorophenyl)-1-quinoxalin-2-ylethanone (PubChem CID 107356679) has the molecular formula C16H10Cl2N2O and a molecular weight of 317.18 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-1-quinoxalin-2-ylethanone.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-1-quinoxalin-2-ylethanone
PubChem CID107356679
Molecular FormulaC16H10Cl2N2O
Molecular Weight317.18 g/mol
Exact Mass316.02
IUPAC Name2-(2,4-dichlorophenyl)-1-quinoxalin-2-ylethanone
SMILESO=C(Cc1ccc(Cl)cc1Cl)c1cnc2ccccc2n1
InChIInChI=1S/C16H10Cl2N2O/c17-11-6-5-10(12(18)8-11)7-16(21)15-9-19-13-3-1-2-4-14(13)20-15/h1-6,8-9H,7H2
InChIKeyCIZQIUNGBHZHAW-UHFFFAOYSA-N
XLogP4.36
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.18
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-dichlorophenyl)-1-(1,2,5-thiadiazol-3-yl)ethanone
CID 105088259
N-(4-chloro-2-iodophenyl)quinoxaline-2-carboxamide
CID 75380970
1-quinoxalin-2-ylbutan-1-one
CID 14895791
4-(4-chlorophenyl)-2-(2-oxo-2-quinoxalin-2-ylethyl)thiophene-3-carboxylic acid
CID 58295460
N-[(2,4-dichlorophenyl)methyl]quinoline-2-carboxamide
CID 2707271
N'-(5-chloro-2-hydroxybenzoyl)quinoxaline-2-carbohydrazide
CID 55468262
2-(2,4-dichlorophenyl)-1-(3,4-dichlorophenyl)ethanone
CID 63409426
1-(1-benzyltriazol-4-yl)-2-(2,4-dichlorophenyl)ethanone
CID 56666169
1-quinoxalin-2-ylhexan-1-one
CID 102319889
(2-oxo-2-quinoxalin-2-ylethyl) acetate
CID 119091259
3-[(2,4-dichlorophenyl)methoxy]quinoline
CID 107388172
2-(2-propan-2-yl-1,2,4-triazol-3-yl)-1-quinoxalin-2-ylethanone
CID 107356752

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-1-quinoxalin-2-ylethanone?
The IUPAC name of 2-(2,4-dichlorophenyl)-1-quinoxalin-2-ylethanone (CID 107356679) is 2-(2,4-dichlorophenyl)-1-quinoxalin-2-ylethanone.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-1-quinoxalin-2-ylethanone?
The canonical SMILES for 2-(2,4-dichlorophenyl)-1-quinoxalin-2-ylethanone is O=C(Cc1ccc(Cl)cc1Cl)c1cnc2ccccc2n1.
What is the InChIKey of 2-(2,4-dichlorophenyl)-1-quinoxalin-2-ylethanone?
The InChIKey is CIZQIUNGBHZHAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl2N2O/c17-11-6-5-10(12(18)8-11)7-16(21)15-9-19-13-3-1-2-4-14(13)20-15/h1-6,8-9H,7H2.
What are the key properties of 2-(2,4-dichlorophenyl)-1-quinoxalin-2-ylethanone?
2-(2,4-dichlorophenyl)-1-quinoxalin-2-ylethanone has a molecular weight of 317.18 g/mol, XLogP of 4.36, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-1-quinoxalin-2-ylethanone is sourced from PubChem (CID 107356679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).