N-[(2-chlorophenyl)methyl]-4-ethyl-3-oxoquinoxaline-2-carboxamide

C18H16ClN3O2 — CID 50808141

IUPACN-[(2-chlorophenyl)methyl]-4-ethyl-3-oxoquinoxaline-2-carboxamide
SMILESCCn1c(=O)c(C(=O)NCc2ccccc2Cl)nc2ccccc21
InChIInChI=1S/C18H16ClN3O2/c1-2-22-15-10-6-5-9-14(15)21-16(18(22)24)17(23)20-11-12-7-3-4-8-13(12)19/h3-10H,2,11H2,1H3,(H,20,23)
InChIKeyPEKZJAFUQGKAKN-UHFFFAOYSA-N
MW341.80 g/mol
LogP3.00
Rot. Bonds4

About N-[(2-chlorophenyl)methyl]-4-ethyl-3-oxoquinoxaline-2-carboxamide

N-[(2-chlorophenyl)methyl]-4-ethyl-3-oxoquinoxaline-2-carboxamide (PubChem CID 50808141) has the molecular formula C18H16ClN3O2 and a molecular weight of 341.80 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-4-ethyl-3-oxoquinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-4-ethyl-3-oxoquinoxaline-2-carboxamide
PubChem CID50808141
Molecular FormulaC18H16ClN3O2
Molecular Weight341.80 g/mol
Exact Mass341.09
IUPAC NameN-[(2-chlorophenyl)methyl]-4-ethyl-3-oxoquinoxaline-2-carboxamide
SMILESCCn1c(=O)c(C(=O)NCc2ccccc2Cl)nc2ccccc21
InChIInChI=1S/C18H16ClN3O2/c1-2-22-15-10-6-5-9-14(15)21-16(18(22)24)17(23)20-11-12-7-3-4-8-13(12)19/h3-10H,2,11H2,1H3,(H,20,23)
InChIKeyPEKZJAFUQGKAKN-UHFFFAOYSA-N
XLogP3.00
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 ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-2-methylphenyl)-4-ethyl-3-oxoquinoxaline-2-carboxamide
CID 50808152
N-[[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]methyl]benzamide
CID 4753051
4-ethyl-N-(4-methylphenyl)-3-oxoquinoxaline-2-carboxamide
CID 46249419
N-[[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]methyl]-2-ethylbutanamide
CID 17006374
N-[(2-chlorophenyl)methyl]-3-(3-ethyl-4-oxoquinazolin-2-yl)propanamide
CID 53159171
4-ethyl-N-(4-fluorophenyl)-3-oxoquinoxaline-2-carboxamide
CID 50808114
2-(2,6-dichlorophenyl)-N-[(1-ethylbenzimidazol-2-yl)methyl]acetamide
CID 18116699
N-[(2-chlorophenyl)methyl]-3-methylimidazo[1,5-a]pyridine-1-carboxamide
CID 110648110
N-[(2-chlorophenyl)methyl]-4-[(4-ethyl-2,3-dioxopyrido[2,3-b]pyrazin-1-yl)methyl]benzamide
CID 20933086
2-(2-chlorophenyl)-N-[2-(1-propylbenzimidazol-2-yl)ethyl]acetamide
CID 16979229
N-[[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]methyl]pyridine-4-carboxamide
CID 16965555
N-[(2-chlorophenyl)methyl]-1-methylindazole-3-carboxamide
CID 71822183

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-4-ethyl-3-oxoquinoxaline-2-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-4-ethyl-3-oxoquinoxaline-2-carboxamide (CID 50808141) is N-[(2-chlorophenyl)methyl]-4-ethyl-3-oxoquinoxaline-2-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-4-ethyl-3-oxoquinoxaline-2-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-4-ethyl-3-oxoquinoxaline-2-carboxamide is CCn1c(=O)c(C(=O)NCc2ccccc2Cl)nc2ccccc21.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-4-ethyl-3-oxoquinoxaline-2-carboxamide?
The InChIKey is PEKZJAFUQGKAKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O2/c1-2-22-15-10-6-5-9-14(15)21-16(18(22)24)17(23)20-11-12-7-3-4-8-13(12)19/h3-10H,2,11H2,1H3,(H,20,23).
What are the key properties of N-[(2-chlorophenyl)methyl]-4-ethyl-3-oxoquinoxaline-2-carboxamide?
N-[(2-chlorophenyl)methyl]-4-ethyl-3-oxoquinoxaline-2-carboxamide has a molecular weight of 341.80 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-4-ethyl-3-oxoquinoxaline-2-carboxamide is sourced from PubChem (CID 50808141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).