N-[(4-chlorophenyl)methyl]-2-(3-methyl-2-oxoquinoxalin-1-yl)acetamide

C18H16ClN3O2 — CID 46295466

IUPACN-[(4-chlorophenyl)methyl]-2-(3-methyl-2-oxoquinoxalin-1-yl)acetamide
SMILESCc1nc2ccccc2n(CC(=O)NCc2ccc(Cl)cc2)c1=O
InChIInChI=1S/C18H16ClN3O2/c1-12-18(24)22(16-5-3-2-4-15(16)21-12)11-17(23)20-10-13-6-8-14(19)9-7-13/h2-9H,10-11H2,1H3,(H,20,23)
InChIKeyAXYPPXPCVRSHPT-UHFFFAOYSA-N
MW341.80 g/mol
LogP2.67
Rot. Bonds4

About N-[(4-chlorophenyl)methyl]-2-(3-methyl-2-oxoquinoxalin-1-yl)acetamide

N-[(4-chlorophenyl)methyl]-2-(3-methyl-2-oxoquinoxalin-1-yl)acetamide (PubChem CID 46295466) has the molecular formula C18H16ClN3O2 and a molecular weight of 341.80 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-(3-methyl-2-oxoquinoxalin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-(3-methyl-2-oxoquinoxalin-1-yl)acetamide
PubChem CID46295466
Molecular FormulaC18H16ClN3O2
Molecular Weight341.80 g/mol
Exact Mass341.09
IUPAC NameN-[(4-chlorophenyl)methyl]-2-(3-methyl-2-oxoquinoxalin-1-yl)acetamide
SMILESCc1nc2ccccc2n(CC(=O)NCc2ccc(Cl)cc2)c1=O
InChIInChI=1S/C18H16ClN3O2/c1-12-18(24)22(16-5-3-2-4-15(16)21-12)11-17(23)20-10-13-6-8-14(19)9-7-13/h2-9H,10-11H2,1H3,(H,20,23)
InChIKeyAXYPPXPCVRSHPT-UHFFFAOYSA-N
XLogP2.67
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.80
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-[2-[(4-chlorophenyl)methyl]benzimidazol-1-yl]acetamide
CID 17032565
N-[(4-chlorophenyl)methyl]-2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]acetamide
CID 51142146
2-(3-methyl-2-oxoquinoxalin-1-yl)acetohydrazide
CID 14616290
N-[(4-methoxyphenyl)methyl]-3-(3-methyl-2-oxoquinoxalin-1-yl)propanamide
CID 46324354
N-[(4-chlorophenyl)methyl]-2-(4-ethyl-3-oxoquinoxalin-2-yl)sulfanylacetamide
CID 46324939
N-[(4-chlorophenyl)methyl]-2-(3-methyl-2,4-dioxoquinazolin-1-yl)acetamide
CID 6502441
N-[(2,5-dimethoxyphenyl)methyl]-2-(3-methyl-2-oxoquinoxalin-1-yl)acetamide
CID 50768132
N-[(3-chlorophenyl)methyl]-4-[(3-methyl-2-oxoquinoxalin-1-yl)methyl]benzamide
CID 46324645
N-[3-(diethylamino)propyl]-2-(3-methyl-2-oxoquinoxalin-1-yl)acetamide
CID 46295469
2-[4-[(4-chlorophenyl)methyl]-2,3-dioxoquinoxalin-1-yl]-N-[(2-methylphenyl)methyl]acetamide
CID 46357424
N-[(2-chlorophenyl)methylideneamino]-2-(3-methyl-2-oxoquinoxalin-1-yl)acetamide
CID 75150430
N-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-3-(3-methyl-2-oxoquinoxalin-1-yl)propanamide
CID 46324455

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-(3-methyl-2-oxoquinoxalin-1-yl)acetamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-(3-methyl-2-oxoquinoxalin-1-yl)acetamide (CID 46295466) is N-[(4-chlorophenyl)methyl]-2-(3-methyl-2-oxoquinoxalin-1-yl)acetamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-(3-methyl-2-oxoquinoxalin-1-yl)acetamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-(3-methyl-2-oxoquinoxalin-1-yl)acetamide is Cc1nc2ccccc2n(CC(=O)NCc2ccc(Cl)cc2)c1=O.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-(3-methyl-2-oxoquinoxalin-1-yl)acetamide?
The InChIKey is AXYPPXPCVRSHPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O2/c1-12-18(24)22(16-5-3-2-4-15(16)21-12)11-17(23)20-10-13-6-8-14(19)9-7-13/h2-9H,10-11H2,1H3,(H,20,23).
What are the key properties of N-[(4-chlorophenyl)methyl]-2-(3-methyl-2-oxoquinoxalin-1-yl)acetamide?
N-[(4-chlorophenyl)methyl]-2-(3-methyl-2-oxoquinoxalin-1-yl)acetamide has a molecular weight of 341.80 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-(3-methyl-2-oxoquinoxalin-1-yl)acetamide is sourced from PubChem (CID 46295466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).