6-[amino-(2-chlorophenyl)methyl]-1,4-dihydroquinoxaline-2,3-dione

C15H12ClN3O2 — CID 43097312

IUPAC6-[amino-(2-chlorophenyl)methyl]-1,4-dihydroquinoxaline-2,3-dione
SMILESNC(c1ccc2[nH]c(=O)c(=O)[nH]c2c1)c1ccccc1Cl
InChIInChI=1S/C15H12ClN3O2/c16-10-4-2-1-3-9(10)13(17)8-5-6-11-12(7-8)19-15(21)14(20)18-11/h1-7,13H,17H2,(H,18,20)(H,19,21)
InChIKeyPIQRZMCJTHAQFX-UHFFFAOYSA-N
MW301.73 g/mol
LogP1.92
Rot. Bonds2

About 6-[amino-(2-chlorophenyl)methyl]-1,4-dihydroquinoxaline-2,3-dione

6-[amino-(2-chlorophenyl)methyl]-1,4-dihydroquinoxaline-2,3-dione (PubChem CID 43097312) has the molecular formula C15H12ClN3O2 and a molecular weight of 301.73 g/mol. Its IUPAC name is 6-[amino-(2-chlorophenyl)methyl]-1,4-dihydroquinoxaline-2,3-dione.

Molecular Properties

Compound Name6-[amino-(2-chlorophenyl)methyl]-1,4-dihydroquinoxaline-2,3-dione
PubChem CID43097312
Molecular FormulaC15H12ClN3O2
Molecular Weight301.73 g/mol
Exact Mass301.06
IUPAC Name6-[amino-(2-chlorophenyl)methyl]-1,4-dihydroquinoxaline-2,3-dione
SMILESNC(c1ccc2[nH]c(=O)c(=O)[nH]c2c1)c1ccccc1Cl
InChIInChI=1S/C15H12ClN3O2/c16-10-4-2-1-3-9(10)13(17)8-5-6-11-12(7-8)19-15(21)14(20)18-11/h1-7,13H,17H2,(H,18,20)(H,19,21)
InChIKeyPIQRZMCJTHAQFX-UHFFFAOYSA-N
XLogP1.92
TPSA91.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.73
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-[amino-(4-ethylphenyl)methyl]-1,4-dihydroquinoxaline-2,3-dione
CID 43823405
6-[amino(thiophen-2-yl)methyl]-1,4-dihydroquinoxaline-2,3-dione
CID 43464020
5-[amino-(2-methoxyphenyl)methyl]-1,3-dihydrobenzimidazol-2-one
CID 43186842
6-[chloro-(2-iodophenyl)methyl]-1,4-dihydroquinoxaline-2,3-dione
CID 61085146
(4-chloro-3-fluorophenyl)-(2-chlorophenyl)methanamine
CID 114024968
(2-chlorophenyl)-(4-iodophenyl)methanamine
CID 115800922
2-amino-2-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)acetic acid
CID 82389538
6-[amino-(5-bromothiophen-2-yl)methyl]-1,4-dihydroquinoxaline-2,3-dione
CID 43464018
5-[amino-(4-bromophenyl)methyl]-1,3-dihydrobenzimidazol-2-one
CID 43186832
6-[amino-(4,5-dimethylthiophen-2-yl)methyl]-1,4-dihydroquinoxaline-2,3-dione
CID 65237738
5-[amino-(5-fluoro-2-methylphenyl)methyl]-1,3-dihydrobenzimidazol-2-one
CID 63048076
(2-chlorophenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine
CID 115801247

Frequently Asked Questions

What is the IUPAC name of 6-[amino-(2-chlorophenyl)methyl]-1,4-dihydroquinoxaline-2,3-dione?
The IUPAC name of 6-[amino-(2-chlorophenyl)methyl]-1,4-dihydroquinoxaline-2,3-dione (CID 43097312) is 6-[amino-(2-chlorophenyl)methyl]-1,4-dihydroquinoxaline-2,3-dione.
What is the SMILES notation for 6-[amino-(2-chlorophenyl)methyl]-1,4-dihydroquinoxaline-2,3-dione?
The canonical SMILES for 6-[amino-(2-chlorophenyl)methyl]-1,4-dihydroquinoxaline-2,3-dione is NC(c1ccc2[nH]c(=O)c(=O)[nH]c2c1)c1ccccc1Cl.
What is the InChIKey of 6-[amino-(2-chlorophenyl)methyl]-1,4-dihydroquinoxaline-2,3-dione?
The InChIKey is PIQRZMCJTHAQFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O2/c16-10-4-2-1-3-9(10)13(17)8-5-6-11-12(7-8)19-15(21)14(20)18-11/h1-7,13H,17H2,(H,18,20)(H,19,21).
What are the key properties of 6-[amino-(2-chlorophenyl)methyl]-1,4-dihydroquinoxaline-2,3-dione?
6-[amino-(2-chlorophenyl)methyl]-1,4-dihydroquinoxaline-2,3-dione has a molecular weight of 301.73 g/mol, XLogP of 1.92, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[amino-(2-chlorophenyl)methyl]-1,4-dihydroquinoxaline-2,3-dione is sourced from PubChem (CID 43097312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).