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

C18H18ClN3O2 — CID 2874849

IUPACN-(3-chlorophenyl)-2-(6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetamide
SMILESCc1cc2c(cc1C)NC(CC(=O)Nc1cccc(Cl)c1)C(=O)N2
InChIInChI=1S/C18H18ClN3O2/c1-10-6-14-15(7-11(10)2)22-18(24)16(21-14)9-17(23)20-13-5-3-4-12(19)8-13/h3-8,16,21H,9H2,1-2H3,(H,20,23)(H,22,24)
InChIKeySSWCOFASPRFALU-UHFFFAOYSA-N
MW343.81 g/mol
LogP3.72
Rot. Bonds3

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

N-(3-chlorophenyl)-2-(6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetamide (PubChem CID 2874849) has the molecular formula C18H18ClN3O2 and a molecular weight of 343.81 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-(6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-(6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetamide
PubChem CID2874849
Molecular FormulaC18H18ClN3O2
Molecular Weight343.81 g/mol
Exact Mass343.11
IUPAC NameN-(3-chlorophenyl)-2-(6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetamide
SMILESCc1cc2c(cc1C)NC(CC(=O)Nc1cccc(Cl)c1)C(=O)N2
InChIInChI=1S/C18H18ClN3O2/c1-10-6-14-15(7-11(10)2)22-18(24)16(21-14)9-17(23)20-13-5-3-4-12(19)8-13/h3-8,16,21H,9H2,1-2H3,(H,20,23)(H,22,24)
InChIKeySSWCOFASPRFALU-UHFFFAOYSA-N
XLogP3.72
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.81
LogP ≤ 53.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-(6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetamide?
The IUPAC name of N-(3-chlorophenyl)-2-(6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetamide (CID 2874849) is N-(3-chlorophenyl)-2-(6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-(6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetamide?
The canonical SMILES for N-(3-chlorophenyl)-2-(6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetamide is Cc1cc2c(cc1C)NC(CC(=O)Nc1cccc(Cl)c1)C(=O)N2.
What is the InChIKey of N-(3-chlorophenyl)-2-(6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetamide?
The InChIKey is SSWCOFASPRFALU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O2/c1-10-6-14-15(7-11(10)2)22-18(24)16(21-14)9-17(23)20-13-5-3-4-12(19)8-13/h3-8,16,21H,9H2,1-2H3,(H,20,23)(H,22,24).
What are the key properties of N-(3-chlorophenyl)-2-(6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetamide?
N-(3-chlorophenyl)-2-(6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetamide has a molecular weight of 343.81 g/mol, XLogP of 3.72, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-(6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetamide is sourced from PubChem (CID 2874849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).