[4-[2-(dimethylamino)ethyl]-2,3-dihydroquinoxalin-1-yl]-pyridin-4-ylmethanone

C18H22N4O — CID 84512347

IUPAC[4-[2-(dimethylamino)ethyl]-2,3-dihydroquinoxalin-1-yl]-pyridin-4-ylmethanone
SMILESCN(C)CCN1CCN(C(=O)c2ccncc2)c2ccccc21
InChIInChI=1S/C18H22N4O/c1-20(2)11-12-21-13-14-22(17-6-4-3-5-16(17)21)18(23)15-7-9-19-10-8-15/h3-10H,11-14H2,1-2H3
InChIKeyBRIGPGHHERZHQK-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.11
Rot. Bonds4

About [4-[2-(dimethylamino)ethyl]-2,3-dihydroquinoxalin-1-yl]-pyridin-4-ylmethanone

[4-[2-(dimethylamino)ethyl]-2,3-dihydroquinoxalin-1-yl]-pyridin-4-ylmethanone (PubChem CID 84512347) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is [4-[2-(dimethylamino)ethyl]-2,3-dihydroquinoxalin-1-yl]-pyridin-4-ylmethanone.

Molecular Properties

Compound Name[4-[2-(dimethylamino)ethyl]-2,3-dihydroquinoxalin-1-yl]-pyridin-4-ylmethanone
PubChem CID84512347
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name[4-[2-(dimethylamino)ethyl]-2,3-dihydroquinoxalin-1-yl]-pyridin-4-ylmethanone
SMILESCN(C)CCN1CCN(C(=O)c2ccncc2)c2ccccc21
InChIInChI=1S/C18H22N4O/c1-20(2)11-12-21-13-14-22(17-6-4-3-5-16(17)21)18(23)15-7-9-19-10-8-15/h3-10H,11-14H2,1-2H3
InChIKeyBRIGPGHHERZHQK-UHFFFAOYSA-N
XLogP2.11
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2,6-dimethoxyphenyl)-[4-[2-(dimethylamino)ethyl]-2,3-dihydroquinoxalin-1-yl]methanone
CID 110358672
1-[4-[2-(dimethylamino)ethyl]-2,3-dihydroquinoxalin-1-yl]-3,3-dimethylbutan-1-one
CID 110417885
1-[4-[2-(dimethylamino)ethyl]-2,3-dihydroquinoxalin-1-yl]-5-phenylpentane-1,5-dione
CID 110355198
4-[2-(dimethylamino)ethyl]-N-propyl-2,3-dihydroquinoxaline-1-carboxamide
CID 110358714
N-benzyl-4-[2-(dimethylamino)ethyl]-2,3-dihydroquinoxaline-1-carboxamide
CID 110355201
1-[4-[2-(dimethylamino)ethyl]-2,3-dihydroquinoxalin-1-yl]-2-methyl-3-phenylpropan-1-one
CID 110355200
1-[4-[2-(dimethylamino)ethyl]-2,3-dihydroquinoxalin-1-yl]-2-(4-fluorophenyl)ethanone
CID 110358678
(4-methylphenyl)-[4-(2-pyrrolidin-1-ylethyl)-2,3-dihydroquinoxalin-1-yl]methanone
CID 110361439
phenyl-[4-(pyridine-4-carbonyl)piperazin-1-yl]methanone
CID 742493
(4-methyl-2,3-dihydroquinoxalin-1-yl)-(4-methylphenyl)methanone
CID 110715085
[2-(methylamino)-4-pyridinyl]-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone
CID 63777015
2-(4-cyclopentylsulfonyl-2,3-dihydroquinoxalin-1-yl)-N,N-dimethylethanamine
CID 110356877

Frequently Asked Questions

What is the IUPAC name of [4-[2-(dimethylamino)ethyl]-2,3-dihydroquinoxalin-1-yl]-pyridin-4-ylmethanone?
The IUPAC name of [4-[2-(dimethylamino)ethyl]-2,3-dihydroquinoxalin-1-yl]-pyridin-4-ylmethanone (CID 84512347) is [4-[2-(dimethylamino)ethyl]-2,3-dihydroquinoxalin-1-yl]-pyridin-4-ylmethanone.
What is the SMILES notation for [4-[2-(dimethylamino)ethyl]-2,3-dihydroquinoxalin-1-yl]-pyridin-4-ylmethanone?
The canonical SMILES for [4-[2-(dimethylamino)ethyl]-2,3-dihydroquinoxalin-1-yl]-pyridin-4-ylmethanone is CN(C)CCN1CCN(C(=O)c2ccncc2)c2ccccc21.
What is the InChIKey of [4-[2-(dimethylamino)ethyl]-2,3-dihydroquinoxalin-1-yl]-pyridin-4-ylmethanone?
The InChIKey is BRIGPGHHERZHQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c1-20(2)11-12-21-13-14-22(17-6-4-3-5-16(17)21)18(23)15-7-9-19-10-8-15/h3-10H,11-14H2,1-2H3.
What are the key properties of [4-[2-(dimethylamino)ethyl]-2,3-dihydroquinoxalin-1-yl]-pyridin-4-ylmethanone?
[4-[2-(dimethylamino)ethyl]-2,3-dihydroquinoxalin-1-yl]-pyridin-4-ylmethanone has a molecular weight of 310.40 g/mol, XLogP of 2.11, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(dimethylamino)ethyl]-2,3-dihydroquinoxalin-1-yl]-pyridin-4-ylmethanone is sourced from PubChem (CID 84512347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).