1-[4-[2-(dimethylamino)ethyl]-2,3-dihydroquinoxalin-1-yl]-3,3-dimethylbutan-1-one

C18H29N3O — CID 110417885

IUPAC1-[4-[2-(dimethylamino)ethyl]-2,3-dihydroquinoxalin-1-yl]-3,3-dimethylbutan-1-one
SMILESCN(C)CCN1CCN(C(=O)CC(C)(C)C)c2ccccc21
InChIInChI=1S/C18H29N3O/c1-18(2,3)14-17(22)21-13-12-20(11-10-19(4)5)15-8-6-7-9-16(15)21/h6-9H,10-14H2,1-5H3
InChIKeyMKJNERBBHVAGIE-UHFFFAOYSA-N
MW303.45 g/mol
LogP2.84
Rot. Bonds4

About 1-[4-[2-(dimethylamino)ethyl]-2,3-dihydroquinoxalin-1-yl]-3,3-dimethylbutan-1-one

1-[4-[2-(dimethylamino)ethyl]-2,3-dihydroquinoxalin-1-yl]-3,3-dimethylbutan-1-one (PubChem CID 110417885) has the molecular formula C18H29N3O and a molecular weight of 303.45 g/mol. Its IUPAC name is 1-[4-[2-(dimethylamino)ethyl]-2,3-dihydroquinoxalin-1-yl]-3,3-dimethylbutan-1-one.

Molecular Properties

Compound Name1-[4-[2-(dimethylamino)ethyl]-2,3-dihydroquinoxalin-1-yl]-3,3-dimethylbutan-1-one
PubChem CID110417885
Molecular FormulaC18H29N3O
Molecular Weight303.45 g/mol
Exact Mass303.23
IUPAC Name1-[4-[2-(dimethylamino)ethyl]-2,3-dihydroquinoxalin-1-yl]-3,3-dimethylbutan-1-one
SMILESCN(C)CCN1CCN(C(=O)CC(C)(C)C)c2ccccc21
InChIInChI=1S/C18H29N3O/c1-18(2,3)14-17(22)21-13-12-20(11-10-19(4)5)15-8-6-7-9-16(15)21/h6-9H,10-14H2,1-5H3
InChIKeyMKJNERBBHVAGIE-UHFFFAOYSA-N
XLogP2.84
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(dimethylamino)ethyl]-2,3-dihydroquinoxalin-1-yl]-3,3-dimethylbutan-1-one?
The IUPAC name of 1-[4-[2-(dimethylamino)ethyl]-2,3-dihydroquinoxalin-1-yl]-3,3-dimethylbutan-1-one (CID 110417885) is 1-[4-[2-(dimethylamino)ethyl]-2,3-dihydroquinoxalin-1-yl]-3,3-dimethylbutan-1-one.
What is the SMILES notation for 1-[4-[2-(dimethylamino)ethyl]-2,3-dihydroquinoxalin-1-yl]-3,3-dimethylbutan-1-one?
The canonical SMILES for 1-[4-[2-(dimethylamino)ethyl]-2,3-dihydroquinoxalin-1-yl]-3,3-dimethylbutan-1-one is CN(C)CCN1CCN(C(=O)CC(C)(C)C)c2ccccc21.
What is the InChIKey of 1-[4-[2-(dimethylamino)ethyl]-2,3-dihydroquinoxalin-1-yl]-3,3-dimethylbutan-1-one?
The InChIKey is MKJNERBBHVAGIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O/c1-18(2,3)14-17(22)21-13-12-20(11-10-19(4)5)15-8-6-7-9-16(15)21/h6-9H,10-14H2,1-5H3.
What are the key properties of 1-[4-[2-(dimethylamino)ethyl]-2,3-dihydroquinoxalin-1-yl]-3,3-dimethylbutan-1-one?
1-[4-[2-(dimethylamino)ethyl]-2,3-dihydroquinoxalin-1-yl]-3,3-dimethylbutan-1-one has a molecular weight of 303.45 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(dimethylamino)ethyl]-2,3-dihydroquinoxalin-1-yl]-3,3-dimethylbutan-1-one is sourced from PubChem (CID 110417885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).