N-[3-[4-[(4-acetyl-2,3-dihydroquinoxalin-1-yl)methyl]phenyl]prop-2-ynyl]acetamide

C22H23N3O2 — CID 169234701

IUPACN-[3-[4-[(4-acetyl-2,3-dihydroquinoxalin-1-yl)methyl]phenyl]prop-2-ynyl]acetamide
SMILESCC(=O)NCC#Cc1ccc(CN2CCN(C(C)=O)c3ccccc32)cc1
InChIInChI=1S/C22H23N3O2/c1-17(26)23-13-5-6-19-9-11-20(12-10-19)16-24-14-15-25(18(2)27)22-8-4-3-7-21(22)24/h3-4,7-12H,13-16H2,1-2H3,(H,23,26)
InChIKeyLQZSNFPETBQQQF-UHFFFAOYSA-N
MW361.45 g/mol
LogP2.55
Rot. Bonds3

About N-[3-[4-[(4-acetyl-2,3-dihydroquinoxalin-1-yl)methyl]phenyl]prop-2-ynyl]acetamide

N-[3-[4-[(4-acetyl-2,3-dihydroquinoxalin-1-yl)methyl]phenyl]prop-2-ynyl]acetamide (PubChem CID 169234701) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is N-[3-[4-[(4-acetyl-2,3-dihydroquinoxalin-1-yl)methyl]phenyl]prop-2-ynyl]acetamide.

Molecular Properties

Compound NameN-[3-[4-[(4-acetyl-2,3-dihydroquinoxalin-1-yl)methyl]phenyl]prop-2-ynyl]acetamide
PubChem CID169234701
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC NameN-[3-[4-[(4-acetyl-2,3-dihydroquinoxalin-1-yl)methyl]phenyl]prop-2-ynyl]acetamide
SMILESCC(=O)NCC#Cc1ccc(CN2CCN(C(C)=O)c3ccccc32)cc1
InChIInChI=1S/C22H23N3O2/c1-17(26)23-13-5-6-19-9-11-20(12-10-19)16-24-14-15-25(18(2)27)22-8-4-3-7-21(22)24/h3-4,7-12H,13-16H2,1-2H3,(H,23,26)
InChIKeyLQZSNFPETBQQQF-UHFFFAOYSA-N
XLogP2.55
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze N-[3-[4-[(4-acetyl-2,3-dihydroquinoxalin-1-yl)methyl]phenyl]prop-2-ynyl]acetamide 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 N-[3-[4-[(4-acetyl-2,3-dihydroquinoxalin-1-yl)methyl]phenyl]prop-2-ynyl]acetamide?
The IUPAC name of N-[3-[4-[(4-acetyl-2,3-dihydroquinoxalin-1-yl)methyl]phenyl]prop-2-ynyl]acetamide (CID 169234701) is N-[3-[4-[(4-acetyl-2,3-dihydroquinoxalin-1-yl)methyl]phenyl]prop-2-ynyl]acetamide.
What is the SMILES notation for N-[3-[4-[(4-acetyl-2,3-dihydroquinoxalin-1-yl)methyl]phenyl]prop-2-ynyl]acetamide?
The canonical SMILES for N-[3-[4-[(4-acetyl-2,3-dihydroquinoxalin-1-yl)methyl]phenyl]prop-2-ynyl]acetamide is CC(=O)NCC#Cc1ccc(CN2CCN(C(C)=O)c3ccccc32)cc1.
What is the InChIKey of N-[3-[4-[(4-acetyl-2,3-dihydroquinoxalin-1-yl)methyl]phenyl]prop-2-ynyl]acetamide?
The InChIKey is LQZSNFPETBQQQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-17(26)23-13-5-6-19-9-11-20(12-10-19)16-24-14-15-25(18(2)27)22-8-4-3-7-21(22)24/h3-4,7-12H,13-16H2,1-2H3,(H,23,26).
What are the key properties of N-[3-[4-[(4-acetyl-2,3-dihydroquinoxalin-1-yl)methyl]phenyl]prop-2-ynyl]acetamide?
N-[3-[4-[(4-acetyl-2,3-dihydroquinoxalin-1-yl)methyl]phenyl]prop-2-ynyl]acetamide has a molecular weight of 361.45 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-[(4-acetyl-2,3-dihydroquinoxalin-1-yl)methyl]phenyl]prop-2-ynyl]acetamide is sourced from PubChem (CID 169234701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).