N-[3-(3-pyrrolidin-1-ylquinoxaline-6-carbonyl)phenyl]benzamide

C26H22N4O2 — CID 174911369

IUPACN-[3-(3-pyrrolidin-1-ylquinoxaline-6-carbonyl)phenyl]benzamide
SMILESO=C(Nc1cccc(C(=O)c2ccc3ncc(N4CCCC4)nc3c2)c1)c1ccccc1
InChIInChI=1S/C26H22N4O2/c31-25(19-9-6-10-21(15-19)28-26(32)18-7-2-1-3-8-18)20-11-12-22-23(16-20)29-24(17-27-22)30-13-4-5-14-30/h1-3,6-12,15-17H,4-5,13-14H2,(H,28,32)
InChIKeyCPRWHUAAYGYJNT-UHFFFAOYSA-N
MW422.49 g/mol
LogP4.71
Rot. Bonds5

About N-[3-(3-pyrrolidin-1-ylquinoxaline-6-carbonyl)phenyl]benzamide

N-[3-(3-pyrrolidin-1-ylquinoxaline-6-carbonyl)phenyl]benzamide (PubChem CID 174911369) has the molecular formula C26H22N4O2 and a molecular weight of 422.49 g/mol. Its IUPAC name is N-[3-(3-pyrrolidin-1-ylquinoxaline-6-carbonyl)phenyl]benzamide.

Molecular Properties

Compound NameN-[3-(3-pyrrolidin-1-ylquinoxaline-6-carbonyl)phenyl]benzamide
PubChem CID174911369
Molecular FormulaC26H22N4O2
Molecular Weight422.49 g/mol
Exact Mass422.17
IUPAC NameN-[3-(3-pyrrolidin-1-ylquinoxaline-6-carbonyl)phenyl]benzamide
SMILESO=C(Nc1cccc(C(=O)c2ccc3ncc(N4CCCC4)nc3c2)c1)c1ccccc1
InChIInChI=1S/C26H22N4O2/c31-25(19-9-6-10-21(15-19)28-26(32)18-7-2-1-3-8-18)20-11-12-22-23(16-20)29-24(17-27-22)30-13-4-5-14-30/h1-3,6-12,15-17H,4-5,13-14H2,(H,28,32)
InChIKeyCPRWHUAAYGYJNT-UHFFFAOYSA-N
XLogP4.71
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3-pyrrolidin-1-ylquinoxaline-6-carbonyl)phenyl]benzamide?
The IUPAC name of N-[3-(3-pyrrolidin-1-ylquinoxaline-6-carbonyl)phenyl]benzamide (CID 174911369) is N-[3-(3-pyrrolidin-1-ylquinoxaline-6-carbonyl)phenyl]benzamide.
What is the SMILES notation for N-[3-(3-pyrrolidin-1-ylquinoxaline-6-carbonyl)phenyl]benzamide?
The canonical SMILES for N-[3-(3-pyrrolidin-1-ylquinoxaline-6-carbonyl)phenyl]benzamide is O=C(Nc1cccc(C(=O)c2ccc3ncc(N4CCCC4)nc3c2)c1)c1ccccc1.
What is the InChIKey of N-[3-(3-pyrrolidin-1-ylquinoxaline-6-carbonyl)phenyl]benzamide?
The InChIKey is CPRWHUAAYGYJNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N4O2/c31-25(19-9-6-10-21(15-19)28-26(32)18-7-2-1-3-8-18)20-11-12-22-23(16-20)29-24(17-27-22)30-13-4-5-14-30/h1-3,6-12,15-17H,4-5,13-14H2,(H,28,32).
What are the key properties of N-[3-(3-pyrrolidin-1-ylquinoxaline-6-carbonyl)phenyl]benzamide?
N-[3-(3-pyrrolidin-1-ylquinoxaline-6-carbonyl)phenyl]benzamide has a molecular weight of 422.49 g/mol, XLogP of 4.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-pyrrolidin-1-ylquinoxaline-6-carbonyl)phenyl]benzamide is sourced from PubChem (CID 174911369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).