1-(2-chlorophenyl)-N-(2-methoxyethyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-8-amine

C19H18ClN5O — CID 71153354

IUPAC1-(2-chlorophenyl)-N-(2-methoxyethyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-8-amine
SMILESCOCCNc1ccc2nc(C)c3nnc(-c4ccccc4Cl)n3c2c1
InChIInChI=1S/C19H18ClN5O/c1-12-18-23-24-19(14-5-3-4-6-15(14)20)25(18)17-11-13(21-9-10-26-2)7-8-16(17)22-12/h3-8,11,21H,9-10H2,1-2H3
InChIKeyOJADSQAKVCVDIT-UHFFFAOYSA-N
MW367.84 g/mol
LogP3.96
Rot. Bonds5

About 1-(2-chlorophenyl)-N-(2-methoxyethyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-8-amine

1-(2-chlorophenyl)-N-(2-methoxyethyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-8-amine (PubChem CID 71153354) has the molecular formula C19H18ClN5O and a molecular weight of 367.84 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-(2-methoxyethyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-8-amine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-(2-methoxyethyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-8-amine
PubChem CID71153354
Molecular FormulaC19H18ClN5O
Molecular Weight367.84 g/mol
Exact Mass367.12
IUPAC Name1-(2-chlorophenyl)-N-(2-methoxyethyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-8-amine
SMILESCOCCNc1ccc2nc(C)c3nnc(-c4ccccc4Cl)n3c2c1
InChIInChI=1S/C19H18ClN5O/c1-12-18-23-24-19(14-5-3-4-6-15(14)20)25(18)17-11-13(21-9-10-26-2)7-8-16(17)22-12/h3-8,11,21H,9-10H2,1-2H3
InChIKeyOJADSQAKVCVDIT-UHFFFAOYSA-N
XLogP3.96
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.84
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-(2-methoxyethyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-8-amine?
The IUPAC name of 1-(2-chlorophenyl)-N-(2-methoxyethyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-8-amine (CID 71153354) is 1-(2-chlorophenyl)-N-(2-methoxyethyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-8-amine.
What is the SMILES notation for 1-(2-chlorophenyl)-N-(2-methoxyethyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-8-amine?
The canonical SMILES for 1-(2-chlorophenyl)-N-(2-methoxyethyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-8-amine is COCCNc1ccc2nc(C)c3nnc(-c4ccccc4Cl)n3c2c1.
What is the InChIKey of 1-(2-chlorophenyl)-N-(2-methoxyethyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-8-amine?
The InChIKey is OJADSQAKVCVDIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN5O/c1-12-18-23-24-19(14-5-3-4-6-15(14)20)25(18)17-11-13(21-9-10-26-2)7-8-16(17)22-12/h3-8,11,21H,9-10H2,1-2H3.
What are the key properties of 1-(2-chlorophenyl)-N-(2-methoxyethyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-8-amine?
1-(2-chlorophenyl)-N-(2-methoxyethyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-8-amine has a molecular weight of 367.84 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-(2-methoxyethyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-8-amine is sourced from PubChem (CID 71153354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).