4-cyano-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)benzamide

C20H17N5O — CID 46683878

IUPAC4-cyano-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)benzamide
SMILESN#Cc1ccc(C(=O)Nc2nc3ccccc3nc2N2CCCC2)cc1
InChIInChI=1S/C20H17N5O/c21-13-14-7-9-15(10-8-14)20(26)24-18-19(25-11-3-4-12-25)23-17-6-2-1-5-16(17)22-18/h1-2,5-10H,3-4,11-12H2,(H,22,24,26)
InChIKeyYQBGHQXIAANFMA-UHFFFAOYSA-N
MW343.39 g/mol
LogP3.35
Rot. Bonds3

About 4-cyano-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)benzamide

4-cyano-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)benzamide (PubChem CID 46683878) has the molecular formula C20H17N5O and a molecular weight of 343.39 g/mol. Its IUPAC name is 4-cyano-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)benzamide.

Molecular Properties

Compound Name4-cyano-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)benzamide
PubChem CID46683878
Molecular FormulaC20H17N5O
Molecular Weight343.39 g/mol
Exact Mass343.14
IUPAC Name4-cyano-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)benzamide
SMILESN#Cc1ccc(C(=O)Nc2nc3ccccc3nc2N2CCCC2)cc1
InChIInChI=1S/C20H17N5O/c21-13-14-7-9-15(10-8-14)20(26)24-18-19(25-11-3-4-12-25)23-17-6-2-1-5-16(17)22-18/h1-2,5-10H,3-4,11-12H2,(H,22,24,26)
InChIKeyYQBGHQXIAANFMA-UHFFFAOYSA-N
XLogP3.35
TPSA81.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)benzamide?
The IUPAC name of 4-cyano-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)benzamide (CID 46683878) is 4-cyano-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)benzamide.
What is the SMILES notation for 4-cyano-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)benzamide?
The canonical SMILES for 4-cyano-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)benzamide is N#Cc1ccc(C(=O)Nc2nc3ccccc3nc2N2CCCC2)cc1.
What is the InChIKey of 4-cyano-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)benzamide?
The InChIKey is YQBGHQXIAANFMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O/c21-13-14-7-9-15(10-8-14)20(26)24-18-19(25-11-3-4-12-25)23-17-6-2-1-5-16(17)22-18/h1-2,5-10H,3-4,11-12H2,(H,22,24,26).
What are the key properties of 4-cyano-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)benzamide?
4-cyano-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)benzamide has a molecular weight of 343.39 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)benzamide is sourced from PubChem (CID 46683878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).