6-[4-(1-quinoxalin-6-ylethyl)piperazin-1-yl]pyridine-3-carboxylic acid

C20H21N5O2 — CID 130376927

IUPAC6-[4-(1-quinoxalin-6-ylethyl)piperazin-1-yl]pyridine-3-carboxylic acid
SMILESCC(c1ccc2nccnc2c1)N1CCN(c2ccc(C(=O)O)cn2)CC1
InChIInChI=1S/C20H21N5O2/c1-14(15-2-4-17-18(12-15)22-7-6-21-17)24-8-10-25(11-9-24)19-5-3-16(13-23-19)20(26)27/h2-7,12-14H,8-11H2,1H3,(H,26,27)
InChIKeyLSAHVNDGZYWZDP-UHFFFAOYSA-N
MW363.42 g/mol
LogP2.61
Rot. Bonds4

About 6-[4-(1-quinoxalin-6-ylethyl)piperazin-1-yl]pyridine-3-carboxylic acid

6-[4-(1-quinoxalin-6-ylethyl)piperazin-1-yl]pyridine-3-carboxylic acid (PubChem CID 130376927) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is 6-[4-(1-quinoxalin-6-ylethyl)piperazin-1-yl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[4-(1-quinoxalin-6-ylethyl)piperazin-1-yl]pyridine-3-carboxylic acid
PubChem CID130376927
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC Name6-[4-(1-quinoxalin-6-ylethyl)piperazin-1-yl]pyridine-3-carboxylic acid
SMILESCC(c1ccc2nccnc2c1)N1CCN(c2ccc(C(=O)O)cn2)CC1
InChIInChI=1S/C20H21N5O2/c1-14(15-2-4-17-18(12-15)22-7-6-21-17)24-8-10-25(11-9-24)19-5-3-16(13-23-19)20(26)27/h2-7,12-14H,8-11H2,1H3,(H,26,27)
InChIKeyLSAHVNDGZYWZDP-UHFFFAOYSA-N
XLogP2.61
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(1-quinoxalin-6-ylethyl)piperazin-1-yl]pyridine-3-carboxylic acid?
The IUPAC name of 6-[4-(1-quinoxalin-6-ylethyl)piperazin-1-yl]pyridine-3-carboxylic acid (CID 130376927) is 6-[4-(1-quinoxalin-6-ylethyl)piperazin-1-yl]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[4-(1-quinoxalin-6-ylethyl)piperazin-1-yl]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[4-(1-quinoxalin-6-ylethyl)piperazin-1-yl]pyridine-3-carboxylic acid is CC(c1ccc2nccnc2c1)N1CCN(c2ccc(C(=O)O)cn2)CC1.
What is the InChIKey of 6-[4-(1-quinoxalin-6-ylethyl)piperazin-1-yl]pyridine-3-carboxylic acid?
The InChIKey is LSAHVNDGZYWZDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2/c1-14(15-2-4-17-18(12-15)22-7-6-21-17)24-8-10-25(11-9-24)19-5-3-16(13-23-19)20(26)27/h2-7,12-14H,8-11H2,1H3,(H,26,27).
What are the key properties of 6-[4-(1-quinoxalin-6-ylethyl)piperazin-1-yl]pyridine-3-carboxylic acid?
6-[4-(1-quinoxalin-6-ylethyl)piperazin-1-yl]pyridine-3-carboxylic acid has a molecular weight of 363.42 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(1-quinoxalin-6-ylethyl)piperazin-1-yl]pyridine-3-carboxylic acid is sourced from PubChem (CID 130376927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).