1-(4-ethyl-2,3-dihydroquinoxalin-1-yl)-4-(methylamino)butan-1-one;dihydrochloride

C15H25Cl2N3O — CID 119883795

IUPAC1-(4-ethyl-2,3-dihydroquinoxalin-1-yl)-4-(methylamino)butan-1-one;dihydrochloride
SMILESCCN1CCN(C(=O)CCCNC)c2ccccc21.Cl.Cl
InChIInChI=1S/C15H23N3O.2ClH/c1-3-17-11-12-18(15(19)9-6-10-16-2)14-8-5-4-7-13(14)17;;/h4-5,7-8,16H,3,6,9-12H2,1-2H3;2*1H
InChIKeyPTXZATVVRYDPRX-UHFFFAOYSA-N
MW334.29 g/mol
LogP2.70
Rot. Bonds5

About 1-(4-ethyl-2,3-dihydroquinoxalin-1-yl)-4-(methylamino)butan-1-one;dihydrochloride

1-(4-ethyl-2,3-dihydroquinoxalin-1-yl)-4-(methylamino)butan-1-one;dihydrochloride (PubChem CID 119883795) has the molecular formula C15H25Cl2N3O and a molecular weight of 334.29 g/mol. Its IUPAC name is 1-(4-ethyl-2,3-dihydroquinoxalin-1-yl)-4-(methylamino)butan-1-one;dihydrochloride.

Molecular Properties

Compound Name1-(4-ethyl-2,3-dihydroquinoxalin-1-yl)-4-(methylamino)butan-1-one;dihydrochloride
PubChem CID119883795
Molecular FormulaC15H25Cl2N3O
Molecular Weight334.29 g/mol
Exact Mass333.14
IUPAC Name1-(4-ethyl-2,3-dihydroquinoxalin-1-yl)-4-(methylamino)butan-1-one;dihydrochloride
SMILESCCN1CCN(C(=O)CCCNC)c2ccccc21.Cl.Cl
InChIInChI=1S/C15H23N3O.2ClH/c1-3-17-11-12-18(15(19)9-6-10-16-2)14-8-5-4-7-13(14)17;;/h4-5,7-8,16H,3,6,9-12H2,1-2H3;2*1H
InChIKeyPTXZATVVRYDPRX-UHFFFAOYSA-N
XLogP2.70
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.29
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(4-ethyl-2,3-dihydroquinoxalin-1-yl)-4-(methylamino)butan-1-one
CID 119883796
2-(4-aminophenyl)-1-(4-ethyl-2,3-dihydroquinoxalin-1-yl)ethanone;dihydrochloride
CID 119883791
1-(4-ethyl-2,3-dihydroquinoxalin-1-yl)-4-(4-propoxyphenyl)butane-1,4-dione
CID 166328690
1-[4-(methylamino)butanoyl]-2,3-dihydroindole-3-carboxylic acid
CID 80565125
N-[4-[4-(cyclopropylmethyl)-2,3-dihydroquinoxalin-1-yl]-4-oxobutyl]cyclopropanecarboxamide
CID 71925729
2-amino-1-(4-ethyl-2,3-dihydroquinoxalin-1-yl)propan-1-one
CID 83631875
1-[4-[2-(dimethylamino)ethyl]-2,3-dihydroquinoxalin-1-yl]-5-phenylpentane-1,5-dione
CID 110355198
N-[4-(2,3-dihydroindol-1-yl)-4-oxobutyl]acetamide
CID 47109240
1-[4-(2-pyrrolidin-1-ylethyl)-2,3-dihydroquinoxalin-1-yl]butan-1-one
CID 110361424
(5-amino-2-methylphenyl)-(4-ethyl-2,3-dihydroquinoxalin-1-yl)methanone;dihydrochloride
CID 120646664
4-hydroxy-1-(4-methyl-2,3-dihydroquinoxalin-1-yl)butan-1-one
CID 79192627
1-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-4-(methylamino)butan-1-one;hydrochloride
CID 119718833

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethyl-2,3-dihydroquinoxalin-1-yl)-4-(methylamino)butan-1-one;dihydrochloride?
The IUPAC name of 1-(4-ethyl-2,3-dihydroquinoxalin-1-yl)-4-(methylamino)butan-1-one;dihydrochloride (CID 119883795) is 1-(4-ethyl-2,3-dihydroquinoxalin-1-yl)-4-(methylamino)butan-1-one;dihydrochloride.
What is the SMILES notation for 1-(4-ethyl-2,3-dihydroquinoxalin-1-yl)-4-(methylamino)butan-1-one;dihydrochloride?
The canonical SMILES for 1-(4-ethyl-2,3-dihydroquinoxalin-1-yl)-4-(methylamino)butan-1-one;dihydrochloride is CCN1CCN(C(=O)CCCNC)c2ccccc21.Cl.Cl.
What is the InChIKey of 1-(4-ethyl-2,3-dihydroquinoxalin-1-yl)-4-(methylamino)butan-1-one;dihydrochloride?
The InChIKey is PTXZATVVRYDPRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O.2ClH/c1-3-17-11-12-18(15(19)9-6-10-16-2)14-8-5-4-7-13(14)17;;/h4-5,7-8,16H,3,6,9-12H2,1-2H3;2*1H.
What are the key properties of 1-(4-ethyl-2,3-dihydroquinoxalin-1-yl)-4-(methylamino)butan-1-one;dihydrochloride?
1-(4-ethyl-2,3-dihydroquinoxalin-1-yl)-4-(methylamino)butan-1-one;dihydrochloride has a molecular weight of 334.29 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethyl-2,3-dihydroquinoxalin-1-yl)-4-(methylamino)butan-1-one;dihydrochloride is sourced from PubChem (CID 119883795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).