1-(3-pyrrolidin-1-ylquinoxalin-2-yl)azetidine-3-carboxylic acid

C16H18N4O2 — CID 122064611

IUPAC1-(3-pyrrolidin-1-ylquinoxalin-2-yl)azetidine-3-carboxylic acid
SMILESO=C(O)C1CN(c2nc3ccccc3nc2N2CCCC2)C1
InChIInChI=1S/C16H18N4O2/c21-16(22)11-9-20(10-11)15-14(19-7-3-4-8-19)17-12-5-1-2-6-13(12)18-15/h1-2,5-6,11H,3-4,7-10H2,(H,21,22)
InChIKeySFKPDNWEUATACD-UHFFFAOYSA-N
MW298.35 g/mol
LogP1.75
Rot. Bonds3

About 1-(3-pyrrolidin-1-ylquinoxalin-2-yl)azetidine-3-carboxylic acid

1-(3-pyrrolidin-1-ylquinoxalin-2-yl)azetidine-3-carboxylic acid (PubChem CID 122064611) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is 1-(3-pyrrolidin-1-ylquinoxalin-2-yl)azetidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(3-pyrrolidin-1-ylquinoxalin-2-yl)azetidine-3-carboxylic acid
PubChem CID122064611
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC Name1-(3-pyrrolidin-1-ylquinoxalin-2-yl)azetidine-3-carboxylic acid
SMILESO=C(O)C1CN(c2nc3ccccc3nc2N2CCCC2)C1
InChIInChI=1S/C16H18N4O2/c21-16(22)11-9-20(10-11)15-14(19-7-3-4-8-19)17-12-5-1-2-6-13(12)18-15/h1-2,5-6,11H,3-4,7-10H2,(H,21,22)
InChIKeySFKPDNWEUATACD-UHFFFAOYSA-N
XLogP1.75
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-pyrrolidin-1-ylquinoxalin-2-yl)azetidine-3-carboxylic acid?
The IUPAC name of 1-(3-pyrrolidin-1-ylquinoxalin-2-yl)azetidine-3-carboxylic acid (CID 122064611) is 1-(3-pyrrolidin-1-ylquinoxalin-2-yl)azetidine-3-carboxylic acid.
What is the SMILES notation for 1-(3-pyrrolidin-1-ylquinoxalin-2-yl)azetidine-3-carboxylic acid?
The canonical SMILES for 1-(3-pyrrolidin-1-ylquinoxalin-2-yl)azetidine-3-carboxylic acid is O=C(O)C1CN(c2nc3ccccc3nc2N2CCCC2)C1.
What is the InChIKey of 1-(3-pyrrolidin-1-ylquinoxalin-2-yl)azetidine-3-carboxylic acid?
The InChIKey is SFKPDNWEUATACD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c21-16(22)11-9-20(10-11)15-14(19-7-3-4-8-19)17-12-5-1-2-6-13(12)18-15/h1-2,5-6,11H,3-4,7-10H2,(H,21,22).
What are the key properties of 1-(3-pyrrolidin-1-ylquinoxalin-2-yl)azetidine-3-carboxylic acid?
1-(3-pyrrolidin-1-ylquinoxalin-2-yl)azetidine-3-carboxylic acid has a molecular weight of 298.35 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-pyrrolidin-1-ylquinoxalin-2-yl)azetidine-3-carboxylic acid is sourced from PubChem (CID 122064611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).