2-amino-1-[4-(cyclopropylmethyl)-2,3-dihydroquinoxalin-1-yl]pentan-1-one;dihydrochloride

C17H27Cl2N3O — CID 119895842

IUPAC2-amino-1-[4-(cyclopropylmethyl)-2,3-dihydroquinoxalin-1-yl]pentan-1-one;dihydrochloride
SMILESCCCC(N)C(=O)N1CCN(CC2CC2)c2ccccc21.Cl.Cl
InChIInChI=1S/C17H25N3O.2ClH/c1-2-5-14(18)17(21)20-11-10-19(12-13-8-9-13)15-6-3-4-7-16(15)20;;/h3-4,6-7,13-14H,2,5,8-12,18H2,1H3;2*1H
InChIKeyAYNAXAJOIBPFHI-UHFFFAOYSA-N
MW360.33 g/mol
LogP3.22
Rot. Bonds5

About 2-amino-1-[4-(cyclopropylmethyl)-2,3-dihydroquinoxalin-1-yl]pentan-1-one;dihydrochloride

2-amino-1-[4-(cyclopropylmethyl)-2,3-dihydroquinoxalin-1-yl]pentan-1-one;dihydrochloride (PubChem CID 119895842) has the molecular formula C17H27Cl2N3O and a molecular weight of 360.33 g/mol. Its IUPAC name is 2-amino-1-[4-(cyclopropylmethyl)-2,3-dihydroquinoxalin-1-yl]pentan-1-one;dihydrochloride.

Molecular Properties

Compound Name2-amino-1-[4-(cyclopropylmethyl)-2,3-dihydroquinoxalin-1-yl]pentan-1-one;dihydrochloride
PubChem CID119895842
Molecular FormulaC17H27Cl2N3O
Molecular Weight360.33 g/mol
Exact Mass359.15
IUPAC Name2-amino-1-[4-(cyclopropylmethyl)-2,3-dihydroquinoxalin-1-yl]pentan-1-one;dihydrochloride
SMILESCCCC(N)C(=O)N1CCN(CC2CC2)c2ccccc21.Cl.Cl
InChIInChI=1S/C17H25N3O.2ClH/c1-2-5-14(18)17(21)20-11-10-19(12-13-8-9-13)15-6-3-4-7-16(15)20;;/h3-4,6-7,13-14H,2,5,8-12,18H2,1H3;2*1H
InChIKeyAYNAXAJOIBPFHI-UHFFFAOYSA-N
XLogP3.22
TPSA49.57 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 ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-1-[4-(cyclopropylmethyl)-2,3-dihydroquinoxalin-1-yl]-2-methyl-3-phenylpropan-1-one
CID 119895849
1-[4-(cyclopropylmethyl)-2,3-dihydroquinoxalin-1-yl]-2-methyl-3-(methylamino)propan-1-one;dihydrochloride
CID 119895862
[1-[4-(cyclopropylmethyl)-2,3-dihydroquinoxalin-1-yl]-1-oxopropan-2-yl]urea
CID 71868713
2-amino-1-(4-ethyl-2,3-dihydroquinoxalin-1-yl)propan-1-one
CID 83631875
4-[(2R)-2-aminopentanoyl]-2,3-dihydro-1,4-benzoxazine-8-carboxylic acid
CID 103871152
[4-(cyclopropylmethyl)-2,3-dihydroquinoxalin-1-yl]-(4-ethylpyrimidin-5-yl)methanone
CID 139005573
2-amino-1-[4-(phenoxymethyl)piperidin-1-yl]pentan-1-one;hydrochloride
CID 119304911
(2R)-2-amino-1-[4-(2,3-dihydroindol-1-ylmethyl)piperidin-1-yl]propan-1-one
CID 119861404
5-[4-(cyclopropylmethyl)-2,3-dihydroquinoxaline-1-carbonyl]-1-methylpyrazole-3-carboxylic acid
CID 138028434
[4-(cyclopropylmethyl)-2,3-dihydroquinoxalin-1-yl]-(1H-pyrazol-4-yl)methanone
CID 122143241
N-[4-[4-(cyclopropylmethyl)-2,3-dihydroquinoxalin-1-yl]-4-oxobutyl]cyclopropanecarboxamide
CID 71925729
2-amino-1-(5-tert-butyl-2,3-dihydroindol-1-yl)pentan-1-one;hydrochloride
CID 119313316

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-(cyclopropylmethyl)-2,3-dihydroquinoxalin-1-yl]pentan-1-one;dihydrochloride?
The IUPAC name of 2-amino-1-[4-(cyclopropylmethyl)-2,3-dihydroquinoxalin-1-yl]pentan-1-one;dihydrochloride (CID 119895842) is 2-amino-1-[4-(cyclopropylmethyl)-2,3-dihydroquinoxalin-1-yl]pentan-1-one;dihydrochloride.
What is the SMILES notation for 2-amino-1-[4-(cyclopropylmethyl)-2,3-dihydroquinoxalin-1-yl]pentan-1-one;dihydrochloride?
The canonical SMILES for 2-amino-1-[4-(cyclopropylmethyl)-2,3-dihydroquinoxalin-1-yl]pentan-1-one;dihydrochloride is CCCC(N)C(=O)N1CCN(CC2CC2)c2ccccc21.Cl.Cl.
What is the InChIKey of 2-amino-1-[4-(cyclopropylmethyl)-2,3-dihydroquinoxalin-1-yl]pentan-1-one;dihydrochloride?
The InChIKey is AYNAXAJOIBPFHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O.2ClH/c1-2-5-14(18)17(21)20-11-10-19(12-13-8-9-13)15-6-3-4-7-16(15)20;;/h3-4,6-7,13-14H,2,5,8-12,18H2,1H3;2*1H.
What are the key properties of 2-amino-1-[4-(cyclopropylmethyl)-2,3-dihydroquinoxalin-1-yl]pentan-1-one;dihydrochloride?
2-amino-1-[4-(cyclopropylmethyl)-2,3-dihydroquinoxalin-1-yl]pentan-1-one;dihydrochloride has a molecular weight of 360.33 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[4-(cyclopropylmethyl)-2,3-dihydroquinoxalin-1-yl]pentan-1-one;dihydrochloride is sourced from PubChem (CID 119895842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).