1-(2-chlorophenyl)-8-(1,1-difluoroethoxy)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline

C18H13ClF2N4O — CID 71153255

IUPAC1-(2-chlorophenyl)-8-(1,1-difluoroethoxy)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline
SMILESCc1nc2ccc(OC(C)(F)F)cc2n2c(-c3ccccc3Cl)nnc12
InChIInChI=1S/C18H13ClF2N4O/c1-10-16-23-24-17(12-5-3-4-6-13(12)19)25(16)15-9-11(26-18(2,20)21)7-8-14(15)22-10/h3-9H,1-2H3
InChIKeyVYUJHYUPDPKIJI-UHFFFAOYSA-N
MW374.78 g/mol
LogP4.90
Rot. Bonds3

About 1-(2-chlorophenyl)-8-(1,1-difluoroethoxy)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline

1-(2-chlorophenyl)-8-(1,1-difluoroethoxy)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline (PubChem CID 71153255) has the molecular formula C18H13ClF2N4O and a molecular weight of 374.78 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-8-(1,1-difluoroethoxy)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline.

Molecular Properties

Compound Name1-(2-chlorophenyl)-8-(1,1-difluoroethoxy)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline
PubChem CID71153255
Molecular FormulaC18H13ClF2N4O
Molecular Weight374.78 g/mol
Exact Mass374.07
IUPAC Name1-(2-chlorophenyl)-8-(1,1-difluoroethoxy)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline
SMILESCc1nc2ccc(OC(C)(F)F)cc2n2c(-c3ccccc3Cl)nnc12
InChIInChI=1S/C18H13ClF2N4O/c1-10-16-23-24-17(12-5-3-4-6-13(12)19)25(16)15-9-11(26-18(2,20)21)7-8-14(15)22-10/h3-9H,1-2H3
InChIKeyVYUJHYUPDPKIJI-UHFFFAOYSA-N
XLogP4.90
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.78
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(2-chlorophenyl)-8-(1,1-difluoroethoxy)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline with MolForge

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Related Compounds

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
1-(2-chlorophenyl)-4-methyl-7-(trifluoromethoxy)-[1,2,4]triazolo[4,3-a]quinoline
CID 163960892
1-(2-chlorophenyl)-4-methyl-N-(pyridin-2-ylmethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-8-amine
CID 164611465
4-[[1-(2-chlorophenyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl]methyl]morpholine
CID 71153436
4-[[1-(2-chlorophenyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl]amino]cyclohexan-1-ol
CID 71520692
N-(1-adamantyl)-1-(2-chlorophenyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide
CID 137349269
1-(2-chlorophenyl)-6-fluoro-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline
CID 71295682
1-(2-chlorophenyl)-N-[2-(diethylamino)ethyl]-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide
CID 71153218
1-(2-chlorophenyl)-6,8-difluoro-3-methylimidazo[5,1-c][1,2,4]benzotriazine
CID 110173676
1-[1-(5-butoxy-2-chlorophenyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl]ethanamine
CID 90030050
8-chloro-1-(2-chlorophenyl)-3,4-dimethylimidazo[1,5-a]quinoxaline
CID 42629954

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-8-(1,1-difluoroethoxy)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline?
The IUPAC name of 1-(2-chlorophenyl)-8-(1,1-difluoroethoxy)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline (CID 71153255) is 1-(2-chlorophenyl)-8-(1,1-difluoroethoxy)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline.
What is the SMILES notation for 1-(2-chlorophenyl)-8-(1,1-difluoroethoxy)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline?
The canonical SMILES for 1-(2-chlorophenyl)-8-(1,1-difluoroethoxy)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline is Cc1nc2ccc(OC(C)(F)F)cc2n2c(-c3ccccc3Cl)nnc12.
What is the InChIKey of 1-(2-chlorophenyl)-8-(1,1-difluoroethoxy)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline?
The InChIKey is VYUJHYUPDPKIJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClF2N4O/c1-10-16-23-24-17(12-5-3-4-6-13(12)19)25(16)15-9-11(26-18(2,20)21)7-8-14(15)22-10/h3-9H,1-2H3.
What are the key properties of 1-(2-chlorophenyl)-8-(1,1-difluoroethoxy)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline?
1-(2-chlorophenyl)-8-(1,1-difluoroethoxy)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline has a molecular weight of 374.78 g/mol, XLogP of 4.90, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-8-(1,1-difluoroethoxy)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline is sourced from PubChem (CID 71153255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).