4-[5-[4-(oxan-4-yl)piperazin-1-yl]-2-pyridinyl]-2,3-dihydroquinoxaline-1-carboxylic acid

C23H29N5O3 — CID 68735210

IUPAC4-[5-[4-(oxan-4-yl)piperazin-1-yl]-2-pyridinyl]-2,3-dihydroquinoxaline-1-carboxylic acid
SMILESO=C(O)N1CCN(c2ccc(N3CCN(C4CCOCC4)CC3)cn2)c2ccccc21
InChIInChI=1S/C23H29N5O3/c29-23(30)28-14-13-27(20-3-1-2-4-21(20)28)22-6-5-19(17-24-22)26-11-9-25(10-12-26)18-7-15-31-16-8-18/h1-6,17-18H,7-16H2,(H,29,30)
InChIKeyJUXAMNLXHYUQLD-UHFFFAOYSA-N
MW423.52 g/mol
LogP3.02
Rot. Bonds3

About 4-[5-[4-(oxan-4-yl)piperazin-1-yl]-2-pyridinyl]-2,3-dihydroquinoxaline-1-carboxylic acid

4-[5-[4-(oxan-4-yl)piperazin-1-yl]-2-pyridinyl]-2,3-dihydroquinoxaline-1-carboxylic acid (PubChem CID 68735210) has the molecular formula C23H29N5O3 and a molecular weight of 423.52 g/mol. Its IUPAC name is 4-[5-[4-(oxan-4-yl)piperazin-1-yl]-2-pyridinyl]-2,3-dihydroquinoxaline-1-carboxylic acid.

Molecular Properties

Compound Name4-[5-[4-(oxan-4-yl)piperazin-1-yl]-2-pyridinyl]-2,3-dihydroquinoxaline-1-carboxylic acid
PubChem CID68735210
Molecular FormulaC23H29N5O3
Molecular Weight423.52 g/mol
Exact Mass423.23
IUPAC Name4-[5-[4-(oxan-4-yl)piperazin-1-yl]-2-pyridinyl]-2,3-dihydroquinoxaline-1-carboxylic acid
SMILESO=C(O)N1CCN(c2ccc(N3CCN(C4CCOCC4)CC3)cn2)c2ccccc21
InChIInChI=1S/C23H29N5O3/c29-23(30)28-14-13-27(20-3-1-2-4-21(20)28)22-6-5-19(17-24-22)26-11-9-25(10-12-26)18-7-15-31-16-8-18/h1-6,17-18H,7-16H2,(H,29,30)
InChIKeyJUXAMNLXHYUQLD-UHFFFAOYSA-N
XLogP3.02
TPSA72.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.52
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[4-(oxan-4-yl)piperazin-1-yl]-2-pyridinyl]-2,3-dihydroquinoxaline-1-carboxylic acid?
The IUPAC name of 4-[5-[4-(oxan-4-yl)piperazin-1-yl]-2-pyridinyl]-2,3-dihydroquinoxaline-1-carboxylic acid (CID 68735210) is 4-[5-[4-(oxan-4-yl)piperazin-1-yl]-2-pyridinyl]-2,3-dihydroquinoxaline-1-carboxylic acid.
What is the SMILES notation for 4-[5-[4-(oxan-4-yl)piperazin-1-yl]-2-pyridinyl]-2,3-dihydroquinoxaline-1-carboxylic acid?
The canonical SMILES for 4-[5-[4-(oxan-4-yl)piperazin-1-yl]-2-pyridinyl]-2,3-dihydroquinoxaline-1-carboxylic acid is O=C(O)N1CCN(c2ccc(N3CCN(C4CCOCC4)CC3)cn2)c2ccccc21.
What is the InChIKey of 4-[5-[4-(oxan-4-yl)piperazin-1-yl]-2-pyridinyl]-2,3-dihydroquinoxaline-1-carboxylic acid?
The InChIKey is JUXAMNLXHYUQLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O3/c29-23(30)28-14-13-27(20-3-1-2-4-21(20)28)22-6-5-19(17-24-22)26-11-9-25(10-12-26)18-7-15-31-16-8-18/h1-6,17-18H,7-16H2,(H,29,30).
What are the key properties of 4-[5-[4-(oxan-4-yl)piperazin-1-yl]-2-pyridinyl]-2,3-dihydroquinoxaline-1-carboxylic acid?
4-[5-[4-(oxan-4-yl)piperazin-1-yl]-2-pyridinyl]-2,3-dihydroquinoxaline-1-carboxylic acid has a molecular weight of 423.52 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[4-(oxan-4-yl)piperazin-1-yl]-2-pyridinyl]-2,3-dihydroquinoxaline-1-carboxylic acid is sourced from PubChem (CID 68735210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).