[3-[[(6-chloroquinoxalin-2-yl)amino]methyl]pyrrolidin-1-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone

C24H22ClN5O2 — CID 67043344

IUPAC[3-[[(6-chloroquinoxalin-2-yl)amino]methyl]pyrrolidin-1-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone
SMILESCc1onc(-c2ccccc2)c1C(=O)N1CCC(CNc2cnc3cc(Cl)ccc3n2)C1
InChIInChI=1S/C24H22ClN5O2/c1-15-22(23(29-32-15)17-5-3-2-4-6-17)24(31)30-10-9-16(14-30)12-27-21-13-26-20-11-18(25)7-8-19(20)28-21/h2-8,11,13,16H,9-10,12,14H2,1H3,(H,27,28)
InChIKeyWFMJNXALRQDDHY-UHFFFAOYSA-N
MW447.93 g/mol
LogP4.82
Rot. Bonds5

About [3-[[(6-chloroquinoxalin-2-yl)amino]methyl]pyrrolidin-1-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone

[3-[[(6-chloroquinoxalin-2-yl)amino]methyl]pyrrolidin-1-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone (PubChem CID 67043344) has the molecular formula C24H22ClN5O2 and a molecular weight of 447.93 g/mol. Its IUPAC name is [3-[[(6-chloroquinoxalin-2-yl)amino]methyl]pyrrolidin-1-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone.

Molecular Properties

Compound Name[3-[[(6-chloroquinoxalin-2-yl)amino]methyl]pyrrolidin-1-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone
PubChem CID67043344
Molecular FormulaC24H22ClN5O2
Molecular Weight447.93 g/mol
Exact Mass447.15
IUPAC Name[3-[[(6-chloroquinoxalin-2-yl)amino]methyl]pyrrolidin-1-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone
SMILESCc1onc(-c2ccccc2)c1C(=O)N1CCC(CNc2cnc3cc(Cl)ccc3n2)C1
InChIInChI=1S/C24H22ClN5O2/c1-15-22(23(29-32-15)17-5-3-2-4-6-17)24(31)30-10-9-16(14-30)12-27-21-13-26-20-11-18(25)7-8-19(20)28-21/h2-8,11,13,16H,9-10,12,14H2,1H3,(H,27,28)
InChIKeyWFMJNXALRQDDHY-UHFFFAOYSA-N
XLogP4.82
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.93
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [3-[[(6-chloroquinoxalin-2-yl)amino]methyl]pyrrolidin-1-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3-[[(6-chloroquinoxalin-2-yl)amino]methyl]pyrrolidin-1-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone?
The IUPAC name of [3-[[(6-chloroquinoxalin-2-yl)amino]methyl]pyrrolidin-1-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone (CID 67043344) is [3-[[(6-chloroquinoxalin-2-yl)amino]methyl]pyrrolidin-1-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone.
What is the SMILES notation for [3-[[(6-chloroquinoxalin-2-yl)amino]methyl]pyrrolidin-1-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone?
The canonical SMILES for [3-[[(6-chloroquinoxalin-2-yl)amino]methyl]pyrrolidin-1-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone is Cc1onc(-c2ccccc2)c1C(=O)N1CCC(CNc2cnc3cc(Cl)ccc3n2)C1.
What is the InChIKey of [3-[[(6-chloroquinoxalin-2-yl)amino]methyl]pyrrolidin-1-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone?
The InChIKey is WFMJNXALRQDDHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN5O2/c1-15-22(23(29-32-15)17-5-3-2-4-6-17)24(31)30-10-9-16(14-30)12-27-21-13-26-20-11-18(25)7-8-19(20)28-21/h2-8,11,13,16H,9-10,12,14H2,1H3,(H,27,28).
What are the key properties of [3-[[(6-chloroquinoxalin-2-yl)amino]methyl]pyrrolidin-1-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone?
[3-[[(6-chloroquinoxalin-2-yl)amino]methyl]pyrrolidin-1-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone has a molecular weight of 447.93 g/mol, XLogP of 4.82, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[(6-chloroquinoxalin-2-yl)amino]methyl]pyrrolidin-1-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone is sourced from PubChem (CID 67043344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).