N-benzyl-2-(6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetamide

C19H21N3O2 — CID 2859344

IUPACN-benzyl-2-(6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetamide
SMILESCc1cc2c(cc1C)NC(CC(=O)NCc1ccccc1)C(=O)N2
InChIInChI=1S/C19H21N3O2/c1-12-8-15-16(9-13(12)2)22-19(24)17(21-15)10-18(23)20-11-14-6-4-3-5-7-14/h3-9,17,21H,10-11H2,1-2H3,(H,20,23)(H,22,24)
InChIKeyHMIIOMCTLWHCIA-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.74
Rot. Bonds4

About N-benzyl-2-(6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetamide

N-benzyl-2-(6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetamide (PubChem CID 2859344) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is N-benzyl-2-(6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetamide.

Molecular Properties

Compound NameN-benzyl-2-(6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetamide
PubChem CID2859344
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC NameN-benzyl-2-(6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetamide
SMILESCc1cc2c(cc1C)NC(CC(=O)NCc1ccccc1)C(=O)N2
InChIInChI=1S/C19H21N3O2/c1-12-8-15-16(9-13(12)2)22-19(24)17(21-15)10-18(23)20-11-14-6-4-3-5-7-14/h3-9,17,21H,10-11H2,1-2H3,(H,20,23)(H,22,24)
InChIKeyHMIIOMCTLWHCIA-UHFFFAOYSA-N
XLogP2.74
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetamide?
The IUPAC name of N-benzyl-2-(6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetamide (CID 2859344) is N-benzyl-2-(6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetamide.
What is the SMILES notation for N-benzyl-2-(6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetamide?
The canonical SMILES for N-benzyl-2-(6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetamide is Cc1cc2c(cc1C)NC(CC(=O)NCc1ccccc1)C(=O)N2.
What is the InChIKey of N-benzyl-2-(6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetamide?
The InChIKey is HMIIOMCTLWHCIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-12-8-15-16(9-13(12)2)22-19(24)17(21-15)10-18(23)20-11-14-6-4-3-5-7-14/h3-9,17,21H,10-11H2,1-2H3,(H,20,23)(H,22,24).
What are the key properties of N-benzyl-2-(6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetamide?
N-benzyl-2-(6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetamide has a molecular weight of 323.40 g/mol, XLogP of 2.74, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetamide is sourced from PubChem (CID 2859344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).