(5-amino-2-methylphenyl)-(4-ethyl-2,3-dihydroquinoxalin-1-yl)methanone;dihydrochloride

C18H23Cl2N3O — CID 120646664

IUPAC(5-amino-2-methylphenyl)-(4-ethyl-2,3-dihydroquinoxalin-1-yl)methanone;dihydrochloride
SMILESCCN1CCN(C(=O)c2cc(N)ccc2C)c2ccccc21.Cl.Cl
InChIInChI=1S/C18H21N3O.2ClH/c1-3-20-10-11-21(17-7-5-4-6-16(17)20)18(22)15-12-14(19)9-8-13(15)2;;/h4-9,12H,3,10-11,19H2,1-2H3;2*1H
InChIKeyLYSHYSUQIUNYCF-UHFFFAOYSA-N
MW368.31 g/mol
LogP3.91
Rot. Bonds2

About (5-amino-2-methylphenyl)-(4-ethyl-2,3-dihydroquinoxalin-1-yl)methanone;dihydrochloride

(5-amino-2-methylphenyl)-(4-ethyl-2,3-dihydroquinoxalin-1-yl)methanone;dihydrochloride (PubChem CID 120646664) has the molecular formula C18H23Cl2N3O and a molecular weight of 368.31 g/mol. Its IUPAC name is (5-amino-2-methylphenyl)-(4-ethyl-2,3-dihydroquinoxalin-1-yl)methanone;dihydrochloride.

Molecular Properties

Compound Name(5-amino-2-methylphenyl)-(4-ethyl-2,3-dihydroquinoxalin-1-yl)methanone;dihydrochloride
PubChem CID120646664
Molecular FormulaC18H23Cl2N3O
Molecular Weight368.31 g/mol
Exact Mass367.12
IUPAC Name(5-amino-2-methylphenyl)-(4-ethyl-2,3-dihydroquinoxalin-1-yl)methanone;dihydrochloride
SMILESCCN1CCN(C(=O)c2cc(N)ccc2C)c2ccccc21.Cl.Cl
InChIInChI=1S/C18H21N3O.2ClH/c1-3-20-10-11-21(17-7-5-4-6-16(17)20)18(22)15-12-14(19)9-8-13(15)2;;/h4-9,12H,3,10-11,19H2,1-2H3;2*1H
InChIKeyLYSHYSUQIUNYCF-UHFFFAOYSA-N
XLogP3.91
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.31
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-aminophenyl)-1-(4-ethyl-2,3-dihydroquinoxalin-1-yl)ethanone;dihydrochloride
CID 119883791
(5-amino-2-methylphenyl)-(4-ethylpiperazin-1-yl)methanone
CID 61289642
(5-amino-2-methylphenyl)-(5,7-dimethyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 120630754
(5-amino-2-methylphenyl)-[4-(2-chlorophenyl)piperazin-1-yl]methanone
CID 120639418
(5-amino-2-methylphenyl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103504921
5-amino-N-[2-(4-ethylpiperazin-1-yl)phenyl]-2-methylbenzamide
CID 120647841
2-[4-(5-amino-2-methylbenzoyl)piperazin-1-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone;dihydrochloride
CID 120646636
(5-amino-2-methylphenyl)-(4,4-diethylpiperidin-1-yl)methanone
CID 63156762
(6-amino-2,3-dihydroindol-1-yl)-(5-bromo-2-methylphenyl)methanone
CID 65306128
[4-(2,5-dichlorophenoxy)-3-pyridinyl]-(4-ethyl-2,3-dihydroquinoxalin-1-yl)methanone
CID 71459275
[4-(5-amino-2-methylbenzoyl)-1,4-diazepan-1-yl]-phenylmethanone
CID 120622945
1-(4-ethyl-2,3-dihydroquinoxalin-1-yl)-4-(methylamino)butan-1-one
CID 119883796

Frequently Asked Questions

What is the IUPAC name of (5-amino-2-methylphenyl)-(4-ethyl-2,3-dihydroquinoxalin-1-yl)methanone;dihydrochloride?
The IUPAC name of (5-amino-2-methylphenyl)-(4-ethyl-2,3-dihydroquinoxalin-1-yl)methanone;dihydrochloride (CID 120646664) is (5-amino-2-methylphenyl)-(4-ethyl-2,3-dihydroquinoxalin-1-yl)methanone;dihydrochloride.
What is the SMILES notation for (5-amino-2-methylphenyl)-(4-ethyl-2,3-dihydroquinoxalin-1-yl)methanone;dihydrochloride?
The canonical SMILES for (5-amino-2-methylphenyl)-(4-ethyl-2,3-dihydroquinoxalin-1-yl)methanone;dihydrochloride is CCN1CCN(C(=O)c2cc(N)ccc2C)c2ccccc21.Cl.Cl.
What is the InChIKey of (5-amino-2-methylphenyl)-(4-ethyl-2,3-dihydroquinoxalin-1-yl)methanone;dihydrochloride?
The InChIKey is LYSHYSUQIUNYCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O.2ClH/c1-3-20-10-11-21(17-7-5-4-6-16(17)20)18(22)15-12-14(19)9-8-13(15)2;;/h4-9,12H,3,10-11,19H2,1-2H3;2*1H.
What are the key properties of (5-amino-2-methylphenyl)-(4-ethyl-2,3-dihydroquinoxalin-1-yl)methanone;dihydrochloride?
(5-amino-2-methylphenyl)-(4-ethyl-2,3-dihydroquinoxalin-1-yl)methanone;dihydrochloride has a molecular weight of 368.31 g/mol, XLogP of 3.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-2-methylphenyl)-(4-ethyl-2,3-dihydroquinoxalin-1-yl)methanone;dihydrochloride is sourced from PubChem (CID 120646664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).