6-amino-7-chloro-3-methyl-3,4-dihydro-1H-quinoxalin-2-one

C9H10ClN3O — CID 91671850

IUPAC6-amino-7-chloro-3-methyl-3,4-dihydro-1H-quinoxalin-2-one
SMILESCC1Nc2cc(N)c(Cl)cc2NC1=O
InChIInChI=1S/C9H10ClN3O/c1-4-9(14)13-7-2-5(10)6(11)3-8(7)12-4/h2-4,12H,11H2,1H3,(H,13,14)
InChIKeyRZNBCCJAPANCMW-UHFFFAOYSA-N
MW211.65 g/mol
LogP1.67
Rot. Bonds

About 6-amino-7-chloro-3-methyl-3,4-dihydro-1H-quinoxalin-2-one

6-amino-7-chloro-3-methyl-3,4-dihydro-1H-quinoxalin-2-one (PubChem CID 91671850) has the molecular formula C9H10ClN3O and a molecular weight of 211.65 g/mol. Its IUPAC name is 6-amino-7-chloro-3-methyl-3,4-dihydro-1H-quinoxalin-2-one.

Molecular Properties

Compound Name6-amino-7-chloro-3-methyl-3,4-dihydro-1H-quinoxalin-2-one
PubChem CID91671850
Molecular FormulaC9H10ClN3O
Molecular Weight211.65 g/mol
Exact Mass211.05
IUPAC Name6-amino-7-chloro-3-methyl-3,4-dihydro-1H-quinoxalin-2-one
SMILESCC1Nc2cc(N)c(Cl)cc2NC1=O
InChIInChI=1S/C9H10ClN3O/c1-4-9(14)13-7-2-5(10)6(11)3-8(7)12-4/h2-4,12H,11H2,1H3,(H,13,14)
InChIKeyRZNBCCJAPANCMW-UHFFFAOYSA-N
XLogP1.67
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.65
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-amino-7-chloro-3-methyl-3,4-dihydro-1H-quinoxalin-2-one?
The IUPAC name of 6-amino-7-chloro-3-methyl-3,4-dihydro-1H-quinoxalin-2-one (CID 91671850) is 6-amino-7-chloro-3-methyl-3,4-dihydro-1H-quinoxalin-2-one.
What is the SMILES notation for 6-amino-7-chloro-3-methyl-3,4-dihydro-1H-quinoxalin-2-one?
The canonical SMILES for 6-amino-7-chloro-3-methyl-3,4-dihydro-1H-quinoxalin-2-one is CC1Nc2cc(N)c(Cl)cc2NC1=O.
What is the InChIKey of 6-amino-7-chloro-3-methyl-3,4-dihydro-1H-quinoxalin-2-one?
The InChIKey is RZNBCCJAPANCMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN3O/c1-4-9(14)13-7-2-5(10)6(11)3-8(7)12-4/h2-4,12H,11H2,1H3,(H,13,14).
What are the key properties of 6-amino-7-chloro-3-methyl-3,4-dihydro-1H-quinoxalin-2-one?
6-amino-7-chloro-3-methyl-3,4-dihydro-1H-quinoxalin-2-one has a molecular weight of 211.65 g/mol, XLogP of 1.67, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-7-chloro-3-methyl-3,4-dihydro-1H-quinoxalin-2-one is sourced from PubChem (CID 91671850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).