1-(2-chlorophenyl)-N-[2-(diethylamino)ethyl]-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide

C23H25ClN6O — CID 71153218

IUPAC1-(2-chlorophenyl)-N-[2-(diethylamino)ethyl]-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide
SMILESCCN(CC)CCNC(=O)c1ccc2nc(C)c3nnc(-c4ccccc4Cl)n3c2c1
InChIInChI=1S/C23H25ClN6O/c1-4-29(5-2)13-12-25-23(31)16-10-11-19-20(14-16)30-21(15(3)26-19)27-28-22(30)17-8-6-7-9-18(17)24/h6-11,14H,4-5,12-13H2,1-3H3,(H,25,31)
InChIKeySRITYIMQTYHWHI-UHFFFAOYSA-N
MW436.95 g/mol
LogP3.98
Rot. Bonds7

About 1-(2-chlorophenyl)-N-[2-(diethylamino)ethyl]-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide

1-(2-chlorophenyl)-N-[2-(diethylamino)ethyl]-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide (PubChem CID 71153218) has the molecular formula C23H25ClN6O and a molecular weight of 436.95 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-[2-(diethylamino)ethyl]-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-[2-(diethylamino)ethyl]-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide
PubChem CID71153218
Molecular FormulaC23H25ClN6O
Molecular Weight436.95 g/mol
Exact Mass436.18
IUPAC Name1-(2-chlorophenyl)-N-[2-(diethylamino)ethyl]-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide
SMILESCCN(CC)CCNC(=O)c1ccc2nc(C)c3nnc(-c4ccccc4Cl)n3c2c1
InChIInChI=1S/C23H25ClN6O/c1-4-29(5-2)13-12-25-23(31)16-10-11-19-20(14-16)30-21(15(3)26-19)27-28-22(30)17-8-6-7-9-18(17)24/h6-11,14H,4-5,12-13H2,1-3H3,(H,25,31)
InChIKeySRITYIMQTYHWHI-UHFFFAOYSA-N
XLogP3.98
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.95
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(2-chlorophenyl)-N-[2-(diethylamino)ethyl]-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-adamantyl)-1-(2-chlorophenyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide
CID 137349269
1-(2-chlorophenyl)-N,N,4-trimethyl-[1,2,4]triazolo[4,3-a]quinoxalin-8-amine
CID 71153332
1-(2-chlorophenyl)-N-(2-methoxyethyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-8-amine
CID 71153354
4-[[1-(2-chlorophenyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl]amino]cyclohexan-1-ol
CID 71520692
3-amino-4-chloro-N-[2-(diethylamino)ethyl]benzamide;hydrochloride
CID 117067963
2-chloro-N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]benzamide
CID 12500967
2-chloro-N-[2-(diethylamino)ethyl]quinoline-3-carboxamide
CID 2308981
3-bromo-N-[2-(diethylamino)ethyl]benzamide;hydrochloride
CID 2941785
4-[5,6-dichloro-1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]-N-[2-(diethylamino)ethyl]benzamide
CID 4915131
N-[2-(diethylamino)ethyl]-3-phenoxybenzamide
CID 12941795
N-[2-(diethylamino)ethyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 78773962
3-[(2-chlorophenyl)methyl]-N-[2-(diethylamino)ethyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide
CID 4194144

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-[2-(diethylamino)ethyl]-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide?
The IUPAC name of 1-(2-chlorophenyl)-N-[2-(diethylamino)ethyl]-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide (CID 71153218) is 1-(2-chlorophenyl)-N-[2-(diethylamino)ethyl]-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide.
What is the SMILES notation for 1-(2-chlorophenyl)-N-[2-(diethylamino)ethyl]-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide?
The canonical SMILES for 1-(2-chlorophenyl)-N-[2-(diethylamino)ethyl]-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide is CCN(CC)CCNC(=O)c1ccc2nc(C)c3nnc(-c4ccccc4Cl)n3c2c1.
What is the InChIKey of 1-(2-chlorophenyl)-N-[2-(diethylamino)ethyl]-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide?
The InChIKey is SRITYIMQTYHWHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN6O/c1-4-29(5-2)13-12-25-23(31)16-10-11-19-20(14-16)30-21(15(3)26-19)27-28-22(30)17-8-6-7-9-18(17)24/h6-11,14H,4-5,12-13H2,1-3H3,(H,25,31).
What are the key properties of 1-(2-chlorophenyl)-N-[2-(diethylamino)ethyl]-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide?
1-(2-chlorophenyl)-N-[2-(diethylamino)ethyl]-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide has a molecular weight of 436.95 g/mol, XLogP of 3.98, 7 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-(diethylamino)ethyl]-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide is sourced from PubChem (CID 71153218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).