N-(3-chloro-2-methylphenyl)-4-ethyl-3-oxoquinoxaline-2-carboxamide

C18H16ClN3O2 — CID 50808152

IUPACN-(3-chloro-2-methylphenyl)-4-ethyl-3-oxoquinoxaline-2-carboxamide
SMILESCCn1c(=O)c(C(=O)Nc2cccc(Cl)c2C)nc2ccccc21
InChIInChI=1S/C18H16ClN3O2/c1-3-22-15-10-5-4-8-14(15)20-16(18(22)24)17(23)21-13-9-6-7-12(19)11(13)2/h4-10H,3H2,1-2H3,(H,21,23)
InChIKeyJWQQHMUGVAGKHS-UHFFFAOYSA-N
MW341.80 g/mol
LogP3.63
Rot. Bonds3

About N-(3-chloro-2-methylphenyl)-4-ethyl-3-oxoquinoxaline-2-carboxamide

N-(3-chloro-2-methylphenyl)-4-ethyl-3-oxoquinoxaline-2-carboxamide (PubChem CID 50808152) has the molecular formula C18H16ClN3O2 and a molecular weight of 341.80 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-4-ethyl-3-oxoquinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-4-ethyl-3-oxoquinoxaline-2-carboxamide
PubChem CID50808152
Molecular FormulaC18H16ClN3O2
Molecular Weight341.80 g/mol
Exact Mass341.09
IUPAC NameN-(3-chloro-2-methylphenyl)-4-ethyl-3-oxoquinoxaline-2-carboxamide
SMILESCCn1c(=O)c(C(=O)Nc2cccc(Cl)c2C)nc2ccccc21
InChIInChI=1S/C18H16ClN3O2/c1-3-22-15-10-5-4-8-14(15)20-16(18(22)24)17(23)21-13-9-6-7-12(19)11(13)2/h4-10H,3H2,1-2H3,(H,21,23)
InChIKeyJWQQHMUGVAGKHS-UHFFFAOYSA-N
XLogP3.63
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.80
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-chlorophenyl)methyl]-4-ethyl-3-oxoquinoxaline-2-carboxamide
CID 50808141
4-ethyl-N-(4-methylphenyl)-3-oxoquinoxaline-2-carboxamide
CID 46249419
4-ethyl-N-(4-fluorophenyl)-3-oxoquinoxaline-2-carboxamide
CID 50808114
4-ethyl-3-oxo-N-[3-(trifluoromethyl)phenyl]quinoxaline-2-carboxamide
CID 46365060
N-[4-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-methylpropanamide
CID 53097759
2-[3-[acetyl(ethyl)amino]-2-oxoquinoxalin-1-yl]-N-(3-chloro-2-methylphenyl)acetamide
CID 53097803
N-(3-chloro-2-methylphenyl)-3-piperidin-1-ylquinoxaline-2-carboxamide
CID 46249402
N-(3-chloro-2-methylphenyl)-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide
CID 26584443
3-[3-(3-chloro-2-methylanilino)-2,3-dioxopropyl]-N-(2-methylphenyl)quinoxaline-2-carboxamide
CID 4181779
N-(3-chloro-4-methylphenyl)-4-[(3-chlorophenyl)methyl]-3-oxoquinoxaline-2-carboxamide
CID 46365084
(2S)-2-[3-[acetyl(ethyl)amino]-2-oxoquinoxalin-1-yl]-N-(3-chloro-2-methylphenyl)butanamide
CID 95081170
3-[4-(3-chlorophenyl)piperazine-1-carbonyl]-1-ethylquinoxalin-2-one
CID 50808145

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-4-ethyl-3-oxoquinoxaline-2-carboxamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-4-ethyl-3-oxoquinoxaline-2-carboxamide (CID 50808152) is N-(3-chloro-2-methylphenyl)-4-ethyl-3-oxoquinoxaline-2-carboxamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-4-ethyl-3-oxoquinoxaline-2-carboxamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-4-ethyl-3-oxoquinoxaline-2-carboxamide is CCn1c(=O)c(C(=O)Nc2cccc(Cl)c2C)nc2ccccc21.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-4-ethyl-3-oxoquinoxaline-2-carboxamide?
The InChIKey is JWQQHMUGVAGKHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O2/c1-3-22-15-10-5-4-8-14(15)20-16(18(22)24)17(23)21-13-9-6-7-12(19)11(13)2/h4-10H,3H2,1-2H3,(H,21,23).
What are the key properties of N-(3-chloro-2-methylphenyl)-4-ethyl-3-oxoquinoxaline-2-carboxamide?
N-(3-chloro-2-methylphenyl)-4-ethyl-3-oxoquinoxaline-2-carboxamide has a molecular weight of 341.80 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-4-ethyl-3-oxoquinoxaline-2-carboxamide is sourced from PubChem (CID 50808152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).