1-[4-(cyclopropylmethyl)-2,3-dihydroquinoxalin-1-yl]-2-methyl-3-(methylamino)propan-1-one;dihydrochloride

C17H27Cl2N3O — CID 119895862

IUPAC1-[4-(cyclopropylmethyl)-2,3-dihydroquinoxalin-1-yl]-2-methyl-3-(methylamino)propan-1-one;dihydrochloride
SMILESCNCC(C)C(=O)N1CCN(CC2CC2)c2ccccc21.Cl.Cl
InChIInChI=1S/C17H25N3O.2ClH/c1-13(11-18-2)17(21)20-10-9-19(12-14-7-8-14)15-5-3-4-6-16(15)20;;/h3-6,13-14,18H,7-12H2,1-2H3;2*1H
InChIKeyAWUNOEFZVVQADO-UHFFFAOYSA-N
MW360.33 g/mol
LogP2.95
Rot. Bonds5

About 1-[4-(cyclopropylmethyl)-2,3-dihydroquinoxalin-1-yl]-2-methyl-3-(methylamino)propan-1-one;dihydrochloride

1-[4-(cyclopropylmethyl)-2,3-dihydroquinoxalin-1-yl]-2-methyl-3-(methylamino)propan-1-one;dihydrochloride (PubChem CID 119895862) has the molecular formula C17H27Cl2N3O and a molecular weight of 360.33 g/mol. Its IUPAC name is 1-[4-(cyclopropylmethyl)-2,3-dihydroquinoxalin-1-yl]-2-methyl-3-(methylamino)propan-1-one;dihydrochloride.

Molecular Properties

Compound Name1-[4-(cyclopropylmethyl)-2,3-dihydroquinoxalin-1-yl]-2-methyl-3-(methylamino)propan-1-one;dihydrochloride
PubChem CID119895862
Molecular FormulaC17H27Cl2N3O
Molecular Weight360.33 g/mol
Exact Mass359.15
IUPAC Name1-[4-(cyclopropylmethyl)-2,3-dihydroquinoxalin-1-yl]-2-methyl-3-(methylamino)propan-1-one;dihydrochloride
SMILESCNCC(C)C(=O)N1CCN(CC2CC2)c2ccccc21.Cl.Cl
InChIInChI=1S/C17H25N3O.2ClH/c1-13(11-18-2)17(21)20-10-9-19(12-14-7-8-14)15-5-3-4-6-16(15)20;;/h3-6,13-14,18H,7-12H2,1-2H3;2*1H
InChIKeyAWUNOEFZVVQADO-UHFFFAOYSA-N
XLogP2.95
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.33
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[4-(cyclopropylmethyl)-2,3-dihydroquinoxalin-1-yl]-2-methyl-3-(methylamino)propan-1-one;dihydrochloride with MolForge

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Related Compounds

[1-[4-(cyclopropylmethyl)-2,3-dihydroquinoxalin-1-yl]-1-oxopropan-2-yl]urea
CID 71868713
2-amino-1-[4-(cyclopropylmethyl)-2,3-dihydroquinoxalin-1-yl]pentan-1-one;dihydrochloride
CID 119895842
3-amino-1-[4-(cyclopropylmethyl)-2,3-dihydroquinoxalin-1-yl]-2-methyl-3-phenylpropan-1-one
CID 119895849
1-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-methyl-3-(methylamino)propan-1-one
CID 79202862
1-(4-benzylpiperidin-1-yl)-2-methyl-3-(methylamino)propan-1-one
CID 79196158
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
5-[4-(cyclopropylmethyl)-2,3-dihydroquinoxaline-1-carbonyl]-1-methylpyrazole-3-carboxylic acid
CID 138028434
6-[4-(cyclopropylmethyl)-2,3-dihydroquinoxaline-1-carbonyl]pyridine-3-carbonitrile
CID 71985837
[4-(cyclopropylmethyl)-2,3-dihydroquinoxalin-1-yl]-(1H-pyrazol-4-yl)methanone
CID 122143241
2-methyl-3-(methylamino)-1-[4-(phenoxymethyl)piperidin-1-yl]propan-1-one;hydrochloride
CID 119751564
1-(4-benzoylpiperidin-1-yl)-2-methyl-3-(methylamino)propan-1-one
CID 119699755

Frequently Asked Questions

What is the IUPAC name of 1-[4-(cyclopropylmethyl)-2,3-dihydroquinoxalin-1-yl]-2-methyl-3-(methylamino)propan-1-one;dihydrochloride?
The IUPAC name of 1-[4-(cyclopropylmethyl)-2,3-dihydroquinoxalin-1-yl]-2-methyl-3-(methylamino)propan-1-one;dihydrochloride (CID 119895862) is 1-[4-(cyclopropylmethyl)-2,3-dihydroquinoxalin-1-yl]-2-methyl-3-(methylamino)propan-1-one;dihydrochloride.
What is the SMILES notation for 1-[4-(cyclopropylmethyl)-2,3-dihydroquinoxalin-1-yl]-2-methyl-3-(methylamino)propan-1-one;dihydrochloride?
The canonical SMILES for 1-[4-(cyclopropylmethyl)-2,3-dihydroquinoxalin-1-yl]-2-methyl-3-(methylamino)propan-1-one;dihydrochloride is CNCC(C)C(=O)N1CCN(CC2CC2)c2ccccc21.Cl.Cl.
What is the InChIKey of 1-[4-(cyclopropylmethyl)-2,3-dihydroquinoxalin-1-yl]-2-methyl-3-(methylamino)propan-1-one;dihydrochloride?
The InChIKey is AWUNOEFZVVQADO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O.2ClH/c1-13(11-18-2)17(21)20-10-9-19(12-14-7-8-14)15-5-3-4-6-16(15)20;;/h3-6,13-14,18H,7-12H2,1-2H3;2*1H.
What are the key properties of 1-[4-(cyclopropylmethyl)-2,3-dihydroquinoxalin-1-yl]-2-methyl-3-(methylamino)propan-1-one;dihydrochloride?
1-[4-(cyclopropylmethyl)-2,3-dihydroquinoxalin-1-yl]-2-methyl-3-(methylamino)propan-1-one;dihydrochloride has a molecular weight of 360.33 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(cyclopropylmethyl)-2,3-dihydroquinoxalin-1-yl]-2-methyl-3-(methylamino)propan-1-one;dihydrochloride is sourced from PubChem (CID 119895862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).