4-[[1-(2-chlorophenyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl]amino]cyclohexan-1-ol

C22H22ClN5O — CID 71520692

IUPAC4-[[1-(2-chlorophenyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl]amino]cyclohexan-1-ol
SMILESCc1nc2ccc(NC3CCC(O)CC3)cc2n2c(-c3ccccc3Cl)nnc12
InChIInChI=1S/C22H22ClN5O/c1-13-21-26-27-22(17-4-2-3-5-18(17)23)28(21)20-12-15(8-11-19(20)24-13)25-14-6-9-16(29)10-7-14/h2-5,8,11-12,14,16,25,29H,6-7,9-10H2,1H3
InChIKeyKNIOZKBZHBPMPJ-UHFFFAOYSA-N
MW407.91 g/mol
LogP4.62
Rot. Bonds3

About 4-[[1-(2-chlorophenyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl]amino]cyclohexan-1-ol

4-[[1-(2-chlorophenyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl]amino]cyclohexan-1-ol (PubChem CID 71520692) has the molecular formula C22H22ClN5O and a molecular weight of 407.91 g/mol. Its IUPAC name is 4-[[1-(2-chlorophenyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[1-(2-chlorophenyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl]amino]cyclohexan-1-ol
PubChem CID71520692
Molecular FormulaC22H22ClN5O
Molecular Weight407.91 g/mol
Exact Mass407.15
IUPAC Name4-[[1-(2-chlorophenyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl]amino]cyclohexan-1-ol
SMILESCc1nc2ccc(NC3CCC(O)CC3)cc2n2c(-c3ccccc3Cl)nnc12
InChIInChI=1S/C22H22ClN5O/c1-13-21-26-27-22(17-4-2-3-5-18(17)23)28(21)20-12-15(8-11-19(20)24-13)25-14-6-9-16(29)10-7-14/h2-5,8,11-12,14,16,25,29H,6-7,9-10H2,1H3
InChIKeyKNIOZKBZHBPMPJ-UHFFFAOYSA-N
XLogP4.62
TPSA75.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.91
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[1-(2-chlorophenyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl]amino]cyclohexan-1-ol?
The IUPAC name of 4-[[1-(2-chlorophenyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl]amino]cyclohexan-1-ol (CID 71520692) is 4-[[1-(2-chlorophenyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl]amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[[1-(2-chlorophenyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl]amino]cyclohexan-1-ol?
The canonical SMILES for 4-[[1-(2-chlorophenyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl]amino]cyclohexan-1-ol is Cc1nc2ccc(NC3CCC(O)CC3)cc2n2c(-c3ccccc3Cl)nnc12.
What is the InChIKey of 4-[[1-(2-chlorophenyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl]amino]cyclohexan-1-ol?
The InChIKey is KNIOZKBZHBPMPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN5O/c1-13-21-26-27-22(17-4-2-3-5-18(17)23)28(21)20-12-15(8-11-19(20)24-13)25-14-6-9-16(29)10-7-14/h2-5,8,11-12,14,16,25,29H,6-7,9-10H2,1H3.
What are the key properties of 4-[[1-(2-chlorophenyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl]amino]cyclohexan-1-ol?
4-[[1-(2-chlorophenyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl]amino]cyclohexan-1-ol has a molecular weight of 407.91 g/mol, XLogP of 4.62, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(2-chlorophenyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl]amino]cyclohexan-1-ol is sourced from PubChem (CID 71520692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).