1-[3-chloro-4-(4-methyl-2,3-dihydroquinoxalin-1-yl)phenyl]ethanone

C17H17ClN2O — CID 63778379

IUPAC1-[3-chloro-4-(4-methyl-2,3-dihydroquinoxalin-1-yl)phenyl]ethanone
SMILESCC(=O)c1ccc(N2CCN(C)c3ccccc32)c(Cl)c1
InChIInChI=1S/C17H17ClN2O/c1-12(21)13-7-8-15(14(18)11-13)20-10-9-19(2)16-5-3-4-6-17(16)20/h3-8,11H,9-10H2,1-2H3
InChIKeyGAJKJRWSUXVCPD-UHFFFAOYSA-N
MW300.79 g/mol
LogP4.13
Rot. Bonds2

About 1-[3-chloro-4-(4-methyl-2,3-dihydroquinoxalin-1-yl)phenyl]ethanone

1-[3-chloro-4-(4-methyl-2,3-dihydroquinoxalin-1-yl)phenyl]ethanone (PubChem CID 63778379) has the molecular formula C17H17ClN2O and a molecular weight of 300.79 g/mol. Its IUPAC name is 1-[3-chloro-4-(4-methyl-2,3-dihydroquinoxalin-1-yl)phenyl]ethanone.

Molecular Properties

Compound Name1-[3-chloro-4-(4-methyl-2,3-dihydroquinoxalin-1-yl)phenyl]ethanone
PubChem CID63778379
Molecular FormulaC17H17ClN2O
Molecular Weight300.79 g/mol
Exact Mass300.10
IUPAC Name1-[3-chloro-4-(4-methyl-2,3-dihydroquinoxalin-1-yl)phenyl]ethanone
SMILESCC(=O)c1ccc(N2CCN(C)c3ccccc32)c(Cl)c1
InChIInChI=1S/C17H17ClN2O/c1-12(21)13-7-8-15(14(18)11-13)20-10-9-19(2)16-5-3-4-6-17(16)20/h3-8,11H,9-10H2,1-2H3
InChIKeyGAJKJRWSUXVCPD-UHFFFAOYSA-N
XLogP4.13
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-4-(4-methyl-2,3-dihydroquinoxalin-1-yl)phenyl]ethanone?
The IUPAC name of 1-[3-chloro-4-(4-methyl-2,3-dihydroquinoxalin-1-yl)phenyl]ethanone (CID 63778379) is 1-[3-chloro-4-(4-methyl-2,3-dihydroquinoxalin-1-yl)phenyl]ethanone.
What is the SMILES notation for 1-[3-chloro-4-(4-methyl-2,3-dihydroquinoxalin-1-yl)phenyl]ethanone?
The canonical SMILES for 1-[3-chloro-4-(4-methyl-2,3-dihydroquinoxalin-1-yl)phenyl]ethanone is CC(=O)c1ccc(N2CCN(C)c3ccccc32)c(Cl)c1.
What is the InChIKey of 1-[3-chloro-4-(4-methyl-2,3-dihydroquinoxalin-1-yl)phenyl]ethanone?
The InChIKey is GAJKJRWSUXVCPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O/c1-12(21)13-7-8-15(14(18)11-13)20-10-9-19(2)16-5-3-4-6-17(16)20/h3-8,11H,9-10H2,1-2H3.
What are the key properties of 1-[3-chloro-4-(4-methyl-2,3-dihydroquinoxalin-1-yl)phenyl]ethanone?
1-[3-chloro-4-(4-methyl-2,3-dihydroquinoxalin-1-yl)phenyl]ethanone has a molecular weight of 300.79 g/mol, XLogP of 4.13, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-4-(4-methyl-2,3-dihydroquinoxalin-1-yl)phenyl]ethanone is sourced from PubChem (CID 63778379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).