5-amino-7-chloro-6-methyl-1,4-dihydroquinoxaline-2,3-dione

C9H8ClN3O2 — CID 10561180

IUPAC5-amino-7-chloro-6-methyl-1,4-dihydroquinoxaline-2,3-dione
SMILESCc1c(Cl)cc2[nH]c(=O)c(=O)[nH]c2c1N
InChIInChI=1S/C9H8ClN3O2/c1-3-4(10)2-5-7(6(3)11)13-9(15)8(14)12-5/h2H,11H2,1H3,(H,12,14)(H,13,15)
InChIKeyXSEGJKWECYWILP-UHFFFAOYSA-N
MW225.63 g/mol
LogP0.76
Rot. Bonds

About 5-amino-7-chloro-6-methyl-1,4-dihydroquinoxaline-2,3-dione

5-amino-7-chloro-6-methyl-1,4-dihydroquinoxaline-2,3-dione (PubChem CID 10561180) has the molecular formula C9H8ClN3O2 and a molecular weight of 225.63 g/mol. Its IUPAC name is 5-amino-7-chloro-6-methyl-1,4-dihydroquinoxaline-2,3-dione.

Molecular Properties

Compound Name5-amino-7-chloro-6-methyl-1,4-dihydroquinoxaline-2,3-dione
PubChem CID10561180
Molecular FormulaC9H8ClN3O2
Molecular Weight225.63 g/mol
Exact Mass225.03
IUPAC Name5-amino-7-chloro-6-methyl-1,4-dihydroquinoxaline-2,3-dione
SMILESCc1c(Cl)cc2[nH]c(=O)c(=O)[nH]c2c1N
InChIInChI=1S/C9H8ClN3O2/c1-3-4(10)2-5-7(6(3)11)13-9(15)8(14)12-5/h2H,11H2,1H3,(H,12,14)(H,13,15)
InChIKeyXSEGJKWECYWILP-UHFFFAOYSA-N
XLogP0.76
TPSA91.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.63
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Acea-1416
CID 9816526
6-Chloro-7-methyl-5-nitro-1,4-dihydro-quinoxaline-2,3-dione
CID 10106426
6-Chloro-7-ethyl-5-nitro-1,4-dihydroquinoxaline-2,3-dione
CID 10683434
2-[(7-Chloro-6-methyl-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)-methylsulfonylamino]acetic acid
CID 9799046
6-Chloro-7-methyl-1,4-dihydro-quinoxaline-2,3-dione
CID 10512659
6,7-Dichloro-5-(trifluoromethyl)-1,4-dihydroquinoxaline-2,3-dione
CID 10518232
6-Chloro-7-trifluoromethyl-1,4-dihydro-2,3-quinoxalinedione
CID 10611689
7-Chloro-5-trifluoromethyl-1,4-dihydro-2,3-quinoxalinedione
CID 10611690
7-Chloro-6-ethyl-5-nitro-1,4-dihydro-quinoxaline-2,3-dione
CID 10707115
(7-Chloro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methylphosphonic acid
CID 44268218
N-(7-chloro-6-methyl-2,3-dioxo-1,2,3,4-tetrahydroquinoxalin-5-yl)-N-(2-hydroxyethyl)methanesulfonamide
CID 44443053
N-(7-chloro-6-ethyl-2,3-dioxo-1,2,3,4-tetrahydroquinoxalin-5-yl)-N-(2-hydroxyethyl)methanesulfonamide
CID 44443055

Frequently Asked Questions

What is the IUPAC name of 5-amino-7-chloro-6-methyl-1,4-dihydroquinoxaline-2,3-dione?
The IUPAC name of 5-amino-7-chloro-6-methyl-1,4-dihydroquinoxaline-2,3-dione (CID 10561180) is 5-amino-7-chloro-6-methyl-1,4-dihydroquinoxaline-2,3-dione.
What is the SMILES notation for 5-amino-7-chloro-6-methyl-1,4-dihydroquinoxaline-2,3-dione?
The canonical SMILES for 5-amino-7-chloro-6-methyl-1,4-dihydroquinoxaline-2,3-dione is Cc1c(Cl)cc2[nH]c(=O)c(=O)[nH]c2c1N.
What is the InChIKey of 5-amino-7-chloro-6-methyl-1,4-dihydroquinoxaline-2,3-dione?
The InChIKey is XSEGJKWECYWILP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN3O2/c1-3-4(10)2-5-7(6(3)11)13-9(15)8(14)12-5/h2H,11H2,1H3,(H,12,14)(H,13,15).
What are the key properties of 5-amino-7-chloro-6-methyl-1,4-dihydroquinoxaline-2,3-dione?
5-amino-7-chloro-6-methyl-1,4-dihydroquinoxaline-2,3-dione has a molecular weight of 225.63 g/mol, XLogP of 0.76, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-7-chloro-6-methyl-1,4-dihydroquinoxaline-2,3-dione is sourced from PubChem (CID 10561180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).