1-(7-chloro-2,2,5-trimethyl-3,4-dihydroquinoxalin-1-yl)ethanone

C13H17ClN2O — CID 84634803

IUPAC1-(7-chloro-2,2,5-trimethyl-3,4-dihydroquinoxalin-1-yl)ethanone
SMILESCC(=O)N1c2cc(Cl)cc(C)c2NCC1(C)C
InChIInChI=1S/C13H17ClN2O/c1-8-5-10(14)6-11-12(8)15-7-13(3,4)16(11)9(2)17/h5-6,15H,7H2,1-4H3
InChIKeyDFIRNFNOGBKMNI-UHFFFAOYSA-N
MW252.74 g/mol
LogP3.21
Rot. Bonds

About 1-(7-chloro-2,2,5-trimethyl-3,4-dihydroquinoxalin-1-yl)ethanone

1-(7-chloro-2,2,5-trimethyl-3,4-dihydroquinoxalin-1-yl)ethanone (PubChem CID 84634803) has the molecular formula C13H17ClN2O and a molecular weight of 252.74 g/mol. Its IUPAC name is 1-(7-chloro-2,2,5-trimethyl-3,4-dihydroquinoxalin-1-yl)ethanone.

Molecular Properties

Compound Name1-(7-chloro-2,2,5-trimethyl-3,4-dihydroquinoxalin-1-yl)ethanone
PubChem CID84634803
Molecular FormulaC13H17ClN2O
Molecular Weight252.74 g/mol
Exact Mass252.10
IUPAC Name1-(7-chloro-2,2,5-trimethyl-3,4-dihydroquinoxalin-1-yl)ethanone
SMILESCC(=O)N1c2cc(Cl)cc(C)c2NCC1(C)C
InChIInChI=1S/C13H17ClN2O/c1-8-5-10(14)6-11-12(8)15-7-13(3,4)16(11)9(2)17/h5-6,15H,7H2,1-4H3
InChIKeyDFIRNFNOGBKMNI-UHFFFAOYSA-N
XLogP3.21
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.74
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(7-chloro-2,2,5-trimethyl-3,4-dihydroquinoxalin-1-yl)ethanone?
The IUPAC name of 1-(7-chloro-2,2,5-trimethyl-3,4-dihydroquinoxalin-1-yl)ethanone (CID 84634803) is 1-(7-chloro-2,2,5-trimethyl-3,4-dihydroquinoxalin-1-yl)ethanone.
What is the SMILES notation for 1-(7-chloro-2,2,5-trimethyl-3,4-dihydroquinoxalin-1-yl)ethanone?
The canonical SMILES for 1-(7-chloro-2,2,5-trimethyl-3,4-dihydroquinoxalin-1-yl)ethanone is CC(=O)N1c2cc(Cl)cc(C)c2NCC1(C)C.
What is the InChIKey of 1-(7-chloro-2,2,5-trimethyl-3,4-dihydroquinoxalin-1-yl)ethanone?
The InChIKey is DFIRNFNOGBKMNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O/c1-8-5-10(14)6-11-12(8)15-7-13(3,4)16(11)9(2)17/h5-6,15H,7H2,1-4H3.
What are the key properties of 1-(7-chloro-2,2,5-trimethyl-3,4-dihydroquinoxalin-1-yl)ethanone?
1-(7-chloro-2,2,5-trimethyl-3,4-dihydroquinoxalin-1-yl)ethanone has a molecular weight of 252.74 g/mol, XLogP of 3.21, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-chloro-2,2,5-trimethyl-3,4-dihydroquinoxalin-1-yl)ethanone is sourced from PubChem (CID 84634803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).