N-[2-(3-methoxyphenyl)ethyl]-1,3-dimethyl-2-oxoquinoxaline-6-carboxamide

C20H21N3O3 — CID 53003089

IUPACN-[2-(3-methoxyphenyl)ethyl]-1,3-dimethyl-2-oxoquinoxaline-6-carboxamide
SMILESCOc1cccc(CCNC(=O)c2ccc3c(c2)nc(C)c(=O)n3C)c1
InChIInChI=1S/C20H21N3O3/c1-13-20(25)23(2)18-8-7-15(12-17(18)22-13)19(24)21-10-9-14-5-4-6-16(11-14)26-3/h4-8,11-12H,9-10H2,1-3H3,(H,21,24)
InChIKeyCMDTXASLDGXOGV-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.22
Rot. Bonds5

About N-[2-(3-methoxyphenyl)ethyl]-1,3-dimethyl-2-oxoquinoxaline-6-carboxamide

N-[2-(3-methoxyphenyl)ethyl]-1,3-dimethyl-2-oxoquinoxaline-6-carboxamide (PubChem CID 53003089) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is N-[2-(3-methoxyphenyl)ethyl]-1,3-dimethyl-2-oxoquinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-[2-(3-methoxyphenyl)ethyl]-1,3-dimethyl-2-oxoquinoxaline-6-carboxamide
PubChem CID53003089
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC NameN-[2-(3-methoxyphenyl)ethyl]-1,3-dimethyl-2-oxoquinoxaline-6-carboxamide
SMILESCOc1cccc(CCNC(=O)c2ccc3c(c2)nc(C)c(=O)n3C)c1
InChIInChI=1S/C20H21N3O3/c1-13-20(25)23(2)18-8-7-15(12-17(18)22-13)19(24)21-10-9-14-5-4-6-16(11-14)26-3/h4-8,11-12H,9-10H2,1-3H3,(H,21,24)
InChIKeyCMDTXASLDGXOGV-UHFFFAOYSA-N
XLogP2.22
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3-methoxyphenyl)ethyl]-2-methyl-1,3-benzoxazole-5-carboxamide
CID 110387937
N-[(2,3-dimethoxyphenyl)methyl]-1,3-dimethyl-2-oxoquinoxaline-6-carboxamide
CID 53058261
1-[(3-methoxyphenyl)methyl]-2-(1-phenoxyethyl)-N-(2-phenylethyl)benzimidazole-5-carboxamide
CID 134127016
N-[2-(3-methoxyphenyl)ethyl]-1,3-benzothiazole-5-carboxamide
CID 154802014
1,3-dimethyl-2-oxo-N-[(2S)-4-phenylbutan-2-yl]quinoxaline-6-carboxamide
CID 95065728
4-chloro-N-[2-(3-methoxyphenyl)ethyl]benzamide
CID 113098173
3-N-(2-methoxyethyl)-1-N-[2-(3-methoxyphenyl)ethyl]benzene-1,3-dicarboxamide
CID 109052520
4-(aminomethyl)-N-[2-(3-methoxyphenyl)ethyl]benzamide
CID 103794996
1-N-[2-(3-methoxyphenyl)ethyl]-4-N-phenylbenzene-1,4-dicarboxamide
CID 109048051
3-methoxy-N-[2-(3-methyl-4-oxoquinazolin-2-yl)ethyl]benzamide
CID 110712281
1-benzyl-N-[2-(4-chlorophenyl)ethyl]-3-methyl-2-oxoquinoxaline-6-carboxamide
CID 53005123
N-[2-(3-methoxyphenyl)ethyl]-1-methylindole-2-carboxamide
CID 113207074

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxyphenyl)ethyl]-1,3-dimethyl-2-oxoquinoxaline-6-carboxamide?
The IUPAC name of N-[2-(3-methoxyphenyl)ethyl]-1,3-dimethyl-2-oxoquinoxaline-6-carboxamide (CID 53003089) is N-[2-(3-methoxyphenyl)ethyl]-1,3-dimethyl-2-oxoquinoxaline-6-carboxamide.
What is the SMILES notation for N-[2-(3-methoxyphenyl)ethyl]-1,3-dimethyl-2-oxoquinoxaline-6-carboxamide?
The canonical SMILES for N-[2-(3-methoxyphenyl)ethyl]-1,3-dimethyl-2-oxoquinoxaline-6-carboxamide is COc1cccc(CCNC(=O)c2ccc3c(c2)nc(C)c(=O)n3C)c1.
What is the InChIKey of N-[2-(3-methoxyphenyl)ethyl]-1,3-dimethyl-2-oxoquinoxaline-6-carboxamide?
The InChIKey is CMDTXASLDGXOGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-13-20(25)23(2)18-8-7-15(12-17(18)22-13)19(24)21-10-9-14-5-4-6-16(11-14)26-3/h4-8,11-12H,9-10H2,1-3H3,(H,21,24).
What are the key properties of N-[2-(3-methoxyphenyl)ethyl]-1,3-dimethyl-2-oxoquinoxaline-6-carboxamide?
N-[2-(3-methoxyphenyl)ethyl]-1,3-dimethyl-2-oxoquinoxaline-6-carboxamide has a molecular weight of 351.41 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxyphenyl)ethyl]-1,3-dimethyl-2-oxoquinoxaline-6-carboxamide is sourced from PubChem (CID 53003089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).