4-[2-[(4-chlorophenyl)methylamino]acetyl]-1,3-dihydroquinoxalin-2-one

C17H16ClN3O2 — CID 2095480

IUPAC4-[2-[(4-chlorophenyl)methylamino]acetyl]-1,3-dihydroquinoxalin-2-one
SMILESO=C1CN(C(=O)CNCc2ccc(Cl)cc2)c2ccccc2N1
InChIInChI=1S/C17H16ClN3O2/c18-13-7-5-12(6-8-13)9-19-10-17(23)21-11-16(22)20-14-3-1-2-4-15(14)21/h1-8,19H,9-11H2,(H,20,22)
InChIKeyXCMZYSTUIOIWMV-UHFFFAOYSA-N
MW329.79 g/mol
LogP2.41
Rot. Bonds4

About 4-[2-[(4-chlorophenyl)methylamino]acetyl]-1,3-dihydroquinoxalin-2-one

4-[2-[(4-chlorophenyl)methylamino]acetyl]-1,3-dihydroquinoxalin-2-one (PubChem CID 2095480) has the molecular formula C17H16ClN3O2 and a molecular weight of 329.79 g/mol. Its IUPAC name is 4-[2-[(4-chlorophenyl)methylamino]acetyl]-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name4-[2-[(4-chlorophenyl)methylamino]acetyl]-1,3-dihydroquinoxalin-2-one
PubChem CID2095480
Molecular FormulaC17H16ClN3O2
Molecular Weight329.79 g/mol
Exact Mass329.09
IUPAC Name4-[2-[(4-chlorophenyl)methylamino]acetyl]-1,3-dihydroquinoxalin-2-one
SMILESO=C1CN(C(=O)CNCc2ccc(Cl)cc2)c2ccccc2N1
InChIInChI=1S/C17H16ClN3O2/c18-13-7-5-12(6-8-13)9-19-10-17(23)21-11-16(22)20-14-3-1-2-4-15(14)21/h1-8,19H,9-11H2,(H,20,22)
InChIKeyXCMZYSTUIOIWMV-UHFFFAOYSA-N
XLogP2.41
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.79
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[2-[(4-chlorophenyl)methylamino]acetyl]-1,3-dihydroquinoxalin-2-one with MolForge

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Related Compounds

2-(4-Benzyl-1-piperazinyl)-N-(3-chloro-4-methylphenyl)acetamide
CID 1206470
4-Benzyl-1,3-dihydroquinoxalin-2-one
CID 759495
N1-(4-chlorophenyl)-2-(4-benzyl-3-oxo-2-piperazinyl)acetamide
CID 2806928
4-(3,4-dichlorobenzoyl)-3-methyl-3,4-dihydro-2(1H)-quinoxalinone
CID 3278385
N-(2-chlorophenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide
CID 4647384
N-[(4-chlorophenyl)methyl]-2-[4-(2-methylphenyl)piperazin-1-yl]acetamide
CID 6466542
N-benzyl-2-[4-(3-chlorophenyl)piperazin-1-yl]acetamide
CID 6470463
N-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]-3-oxo-2,4-dihydroquinoxaline-1-carboxamide
CID 8071321
N-(4-chlorophenyl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide
CID 1342233
4-[(4-chlorophenyl)methyl]-N-phenylpiperazine-1-carboxamide
CID 6465286
3-[4-(4-Chloro-benzyl)-piperazin-1-yl]-3,4-dihydro-1H-quinolin-2-one
CID 9820048
2-[4-(4-Chloro-benzyl)-piperazin-1-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)-ethanone
CID 9843031

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(4-chlorophenyl)methylamino]acetyl]-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 4-[2-[(4-chlorophenyl)methylamino]acetyl]-1,3-dihydroquinoxalin-2-one (CID 2095480) is 4-[2-[(4-chlorophenyl)methylamino]acetyl]-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 4-[2-[(4-chlorophenyl)methylamino]acetyl]-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 4-[2-[(4-chlorophenyl)methylamino]acetyl]-1,3-dihydroquinoxalin-2-one is O=C1CN(C(=O)CNCc2ccc(Cl)cc2)c2ccccc2N1.
What is the InChIKey of 4-[2-[(4-chlorophenyl)methylamino]acetyl]-1,3-dihydroquinoxalin-2-one?
The InChIKey is XCMZYSTUIOIWMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O2/c18-13-7-5-12(6-8-13)9-19-10-17(23)21-11-16(22)20-14-3-1-2-4-15(14)21/h1-8,19H,9-11H2,(H,20,22).
What are the key properties of 4-[2-[(4-chlorophenyl)methylamino]acetyl]-1,3-dihydroquinoxalin-2-one?
4-[2-[(4-chlorophenyl)methylamino]acetyl]-1,3-dihydroquinoxalin-2-one has a molecular weight of 329.79 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(4-chlorophenyl)methylamino]acetyl]-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 2095480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).