8-chloro-1-methyl-3,4-dihydro-2H-quinoxaline-6-carbaldehyde

C10H11ClN2O — CID 134292285

IUPAC8-chloro-1-methyl-3,4-dihydro-2H-quinoxaline-6-carbaldehyde
SMILESCN1CCNc2cc(C=O)cc(Cl)c21
InChIInChI=1S/C10H11ClN2O/c1-13-3-2-12-9-5-7(6-14)4-8(11)10(9)13/h4-6,12H,2-3H2,1H3
InChIKeyHRWRWTUCPHPAPH-UHFFFAOYSA-N
MW210.66 g/mol
LogP2.01
Rot. Bonds1

About 8-chloro-1-methyl-3,4-dihydro-2H-quinoxaline-6-carbaldehyde

8-chloro-1-methyl-3,4-dihydro-2H-quinoxaline-6-carbaldehyde (PubChem CID 134292285) has the molecular formula C10H11ClN2O and a molecular weight of 210.66 g/mol. Its IUPAC name is 8-chloro-1-methyl-3,4-dihydro-2H-quinoxaline-6-carbaldehyde.

Molecular Properties

Compound Name8-chloro-1-methyl-3,4-dihydro-2H-quinoxaline-6-carbaldehyde
PubChem CID134292285
Molecular FormulaC10H11ClN2O
Molecular Weight210.66 g/mol
Exact Mass210.06
IUPAC Name8-chloro-1-methyl-3,4-dihydro-2H-quinoxaline-6-carbaldehyde
SMILESCN1CCNc2cc(C=O)cc(Cl)c21
InChIInChI=1S/C10H11ClN2O/c1-13-3-2-12-9-5-7(6-14)4-8(11)10(9)13/h4-6,12H,2-3H2,1H3
InChIKeyHRWRWTUCPHPAPH-UHFFFAOYSA-N
XLogP2.01
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.66
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-1-methyl-3,4-dihydro-2H-quinoxaline-6-carbaldehyde?
The IUPAC name of 8-chloro-1-methyl-3,4-dihydro-2H-quinoxaline-6-carbaldehyde (CID 134292285) is 8-chloro-1-methyl-3,4-dihydro-2H-quinoxaline-6-carbaldehyde.
What is the SMILES notation for 8-chloro-1-methyl-3,4-dihydro-2H-quinoxaline-6-carbaldehyde?
The canonical SMILES for 8-chloro-1-methyl-3,4-dihydro-2H-quinoxaline-6-carbaldehyde is CN1CCNc2cc(C=O)cc(Cl)c21.
What is the InChIKey of 8-chloro-1-methyl-3,4-dihydro-2H-quinoxaline-6-carbaldehyde?
The InChIKey is HRWRWTUCPHPAPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O/c1-13-3-2-12-9-5-7(6-14)4-8(11)10(9)13/h4-6,12H,2-3H2,1H3.
What are the key properties of 8-chloro-1-methyl-3,4-dihydro-2H-quinoxaline-6-carbaldehyde?
8-chloro-1-methyl-3,4-dihydro-2H-quinoxaline-6-carbaldehyde has a molecular weight of 210.66 g/mol, XLogP of 2.01, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-1-methyl-3,4-dihydro-2H-quinoxaline-6-carbaldehyde is sourced from PubChem (CID 134292285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).