7-amino-6-[2-(2-chlorophenyl)ethyl-methylamino]-3,4-dihydro-1H-quinoxalin-2-one

C17H19ClN4O — CID 100999277

IUPAC7-amino-6-[2-(2-chlorophenyl)ethyl-methylamino]-3,4-dihydro-1H-quinoxalin-2-one
SMILESCN(CCc1ccccc1Cl)c1cc2c(cc1N)NC(=O)CN2
InChIInChI=1S/C17H19ClN4O/c1-22(7-6-11-4-2-3-5-12(11)18)16-9-14-15(8-13(16)19)21-17(23)10-20-14/h2-5,8-9,20H,6-7,10,19H2,1H3,(H,21,23)
InChIKeyYYCFIURERFWZKZ-UHFFFAOYSA-N
MW330.82 g/mol
LogP2.97
Rot. Bonds4

About 7-amino-6-[2-(2-chlorophenyl)ethyl-methylamino]-3,4-dihydro-1H-quinoxalin-2-one

7-amino-6-[2-(2-chlorophenyl)ethyl-methylamino]-3,4-dihydro-1H-quinoxalin-2-one (PubChem CID 100999277) has the molecular formula C17H19ClN4O and a molecular weight of 330.82 g/mol. Its IUPAC name is 7-amino-6-[2-(2-chlorophenyl)ethyl-methylamino]-3,4-dihydro-1H-quinoxalin-2-one.

Molecular Properties

Compound Name7-amino-6-[2-(2-chlorophenyl)ethyl-methylamino]-3,4-dihydro-1H-quinoxalin-2-one
PubChem CID100999277
Molecular FormulaC17H19ClN4O
Molecular Weight330.82 g/mol
Exact Mass330.12
IUPAC Name7-amino-6-[2-(2-chlorophenyl)ethyl-methylamino]-3,4-dihydro-1H-quinoxalin-2-one
SMILESCN(CCc1ccccc1Cl)c1cc2c(cc1N)NC(=O)CN2
InChIInChI=1S/C17H19ClN4O/c1-22(7-6-11-4-2-3-5-12(11)18)16-9-14-15(8-13(16)19)21-17(23)10-20-14/h2-5,8-9,20H,6-7,10,19H2,1H3,(H,21,23)
InChIKeyYYCFIURERFWZKZ-UHFFFAOYSA-N
XLogP2.97
TPSA70.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.82
LogP ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-Benzyl-1-piperazinyl)-N-(3-chloro-4-methylphenyl)acetamide
CID 1206470
(3~{R})-4-cyclopropyl-1,3-dimethyl-6-[[(1~{S})-1-(4-methylphenyl)ethyl]amino]-3~{H}-quinoxalin-2-one
CID 133053976
N-(2-chlorophenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide
CID 4647384
N-benzyl-2-[4-(3-chlorophenyl)piperazin-1-yl]acetamide
CID 6470463
N-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]-3-oxo-2,4-dihydroquinoxaline-1-carboxamide
CID 8071321
N-(2-amino-4-(4-methylpiperazin-1-yl)phenyl)-N-benzylacetamide
CID 11559141
N-[(2-chlorophenyl)methyl]-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide
CID 2107332
4-[(E)-3-(3-chlorophenyl)prop-2-enoyl]-1,3-dihydroquinoxalin-2-one
CID 2109019
2-(4-benzyl-7-chloro-2,3-dioxoquinoxalin-1-yl)-N-ethylacetamide
CID 2441441
N-[2-(2,4-dichlorophenyl)ethyl]-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)acetamide
CID 2468496
2-(4-benzyl-7-chloro-2,3-dioxoquinoxalin-1-yl)-N-tert-butylacetamide
CID 2494142
4-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-1,3-dihydroquinoxalin-2-one
CID 6224252

Frequently Asked Questions

What is the IUPAC name of 7-amino-6-[2-(2-chlorophenyl)ethyl-methylamino]-3,4-dihydro-1H-quinoxalin-2-one?
The IUPAC name of 7-amino-6-[2-(2-chlorophenyl)ethyl-methylamino]-3,4-dihydro-1H-quinoxalin-2-one (CID 100999277) is 7-amino-6-[2-(2-chlorophenyl)ethyl-methylamino]-3,4-dihydro-1H-quinoxalin-2-one.
What is the SMILES notation for 7-amino-6-[2-(2-chlorophenyl)ethyl-methylamino]-3,4-dihydro-1H-quinoxalin-2-one?
The canonical SMILES for 7-amino-6-[2-(2-chlorophenyl)ethyl-methylamino]-3,4-dihydro-1H-quinoxalin-2-one is CN(CCc1ccccc1Cl)c1cc2c(cc1N)NC(=O)CN2.
What is the InChIKey of 7-amino-6-[2-(2-chlorophenyl)ethyl-methylamino]-3,4-dihydro-1H-quinoxalin-2-one?
The InChIKey is YYCFIURERFWZKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN4O/c1-22(7-6-11-4-2-3-5-12(11)18)16-9-14-15(8-13(16)19)21-17(23)10-20-14/h2-5,8-9,20H,6-7,10,19H2,1H3,(H,21,23).
What are the key properties of 7-amino-6-[2-(2-chlorophenyl)ethyl-methylamino]-3,4-dihydro-1H-quinoxalin-2-one?
7-amino-6-[2-(2-chlorophenyl)ethyl-methylamino]-3,4-dihydro-1H-quinoxalin-2-one has a molecular weight of 330.82 g/mol, XLogP of 2.97, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-6-[2-(2-chlorophenyl)ethyl-methylamino]-3,4-dihydro-1H-quinoxalin-2-one is sourced from PubChem (CID 100999277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).