1-cyclohexyl-8-[4-(2-hydroxyethyl)piperidine-1-carbonyl]-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one

C23H29N5O3 — CID 59198810

IUPAC1-cyclohexyl-8-[4-(2-hydroxyethyl)piperidine-1-carbonyl]-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one
SMILESO=C(c1ccc2[nH]c(=O)c3nnc(C4CCCCC4)n3c2c1)N1CCC(CCO)CC1
InChIInChI=1S/C23H29N5O3/c29-13-10-15-8-11-27(12-9-15)23(31)17-6-7-18-19(14-17)28-20(16-4-2-1-3-5-16)25-26-21(28)22(30)24-18/h6-7,14-16,29H,1-5,8-13H2,(H,24,30)
InChIKeyUZEVBGAPQUKDRC-UHFFFAOYSA-N
MW423.52 g/mol
LogP2.85
Rot. Bonds4

About 1-cyclohexyl-8-[4-(2-hydroxyethyl)piperidine-1-carbonyl]-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one

1-cyclohexyl-8-[4-(2-hydroxyethyl)piperidine-1-carbonyl]-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one (PubChem CID 59198810) has the molecular formula C23H29N5O3 and a molecular weight of 423.52 g/mol. Its IUPAC name is 1-cyclohexyl-8-[4-(2-hydroxyethyl)piperidine-1-carbonyl]-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one.

Molecular Properties

Compound Name1-cyclohexyl-8-[4-(2-hydroxyethyl)piperidine-1-carbonyl]-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one
PubChem CID59198810
Molecular FormulaC23H29N5O3
Molecular Weight423.52 g/mol
Exact Mass423.23
IUPAC Name1-cyclohexyl-8-[4-(2-hydroxyethyl)piperidine-1-carbonyl]-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one
SMILESO=C(c1ccc2[nH]c(=O)c3nnc(C4CCCCC4)n3c2c1)N1CCC(CCO)CC1
InChIInChI=1S/C23H29N5O3/c29-13-10-15-8-11-27(12-9-15)23(31)17-6-7-18-19(14-17)28-20(16-4-2-1-3-5-16)25-26-21(28)22(30)24-18/h6-7,14-16,29H,1-5,8-13H2,(H,24,30)
InChIKeyUZEVBGAPQUKDRC-UHFFFAOYSA-N
XLogP2.85
TPSA103.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.52
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-8-[4-(2-hydroxyethyl)piperidine-1-carbonyl]-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one?
The IUPAC name of 1-cyclohexyl-8-[4-(2-hydroxyethyl)piperidine-1-carbonyl]-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one (CID 59198810) is 1-cyclohexyl-8-[4-(2-hydroxyethyl)piperidine-1-carbonyl]-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one.
What is the SMILES notation for 1-cyclohexyl-8-[4-(2-hydroxyethyl)piperidine-1-carbonyl]-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one?
The canonical SMILES for 1-cyclohexyl-8-[4-(2-hydroxyethyl)piperidine-1-carbonyl]-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one is O=C(c1ccc2[nH]c(=O)c3nnc(C4CCCCC4)n3c2c1)N1CCC(CCO)CC1.
What is the InChIKey of 1-cyclohexyl-8-[4-(2-hydroxyethyl)piperidine-1-carbonyl]-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one?
The InChIKey is UZEVBGAPQUKDRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O3/c29-13-10-15-8-11-27(12-9-15)23(31)17-6-7-18-19(14-17)28-20(16-4-2-1-3-5-16)25-26-21(28)22(30)24-18/h6-7,14-16,29H,1-5,8-13H2,(H,24,30).
What are the key properties of 1-cyclohexyl-8-[4-(2-hydroxyethyl)piperidine-1-carbonyl]-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one?
1-cyclohexyl-8-[4-(2-hydroxyethyl)piperidine-1-carbonyl]-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one has a molecular weight of 423.52 g/mol, XLogP of 2.85, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-8-[4-(2-hydroxyethyl)piperidine-1-carbonyl]-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one is sourced from PubChem (CID 59198810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).