N-[(4-methoxyphenyl)methyl]-3-(3-methyl-2-oxoquinoxalin-1-yl)propanamide

C20H21N3O3 — CID 46324354

IUPACN-[(4-methoxyphenyl)methyl]-3-(3-methyl-2-oxoquinoxalin-1-yl)propanamide
SMILESCOc1ccc(CNC(=O)CCn2c(=O)c(C)nc3ccccc32)cc1
InChIInChI=1S/C20H21N3O3/c1-14-20(25)23(18-6-4-3-5-17(18)22-14)12-11-19(24)21-13-15-7-9-16(26-2)10-8-15/h3-10H,11-13H2,1-2H3,(H,21,24)
InChIKeyMZKRNURRZRWJDV-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.42
Rot. Bonds6

About N-[(4-methoxyphenyl)methyl]-3-(3-methyl-2-oxoquinoxalin-1-yl)propanamide

N-[(4-methoxyphenyl)methyl]-3-(3-methyl-2-oxoquinoxalin-1-yl)propanamide (PubChem CID 46324354) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-3-(3-methyl-2-oxoquinoxalin-1-yl)propanamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-3-(3-methyl-2-oxoquinoxalin-1-yl)propanamide
PubChem CID46324354
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC NameN-[(4-methoxyphenyl)methyl]-3-(3-methyl-2-oxoquinoxalin-1-yl)propanamide
SMILESCOc1ccc(CNC(=O)CCn2c(=O)c(C)nc3ccccc32)cc1
InChIInChI=1S/C20H21N3O3/c1-14-20(25)23(18-6-4-3-5-17(18)22-14)12-11-19(24)21-13-15-7-9-16(26-2)10-8-15/h3-10H,11-13H2,1-2H3,(H,21,24)
InChIKeyMZKRNURRZRWJDV-UHFFFAOYSA-N
XLogP2.42
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-3-(3-methyl-2-oxoquinoxalin-1-yl)propanamide
CID 46324360
N-[(4-chlorophenyl)methyl]-2-(3-methyl-2-oxoquinoxalin-1-yl)acetamide
CID 46295466
N-[2-(dimethylamino)ethyl]-3-(3-methyl-2-oxoquinoxalin-1-yl)propanamide
CID 46324347
N-[(2,5-dimethoxyphenyl)methyl]-2-(3-methyl-2-oxoquinoxalin-1-yl)acetamide
CID 50768132
3-(3-methyl-2-oxoquinoxalin-1-yl)propanoic acid
CID 62374383
2-[2-(4-bromophenyl)benzimidazol-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 17033250
N-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-3-(3-methyl-2-oxoquinoxalin-1-yl)propanamide
CID 46324455
2-[2-(acetamidomethyl)benzimidazol-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 17028897
N-[[1-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]benzimidazol-2-yl]methyl]propanamide
CID 17028946
N-[(4-methoxyphenyl)methyl]-2-(2-propylbenzimidazol-1-yl)acetamide
CID 17028685
N-(2-ethylphenyl)-3-(3-methyl-2-oxoquinoxalin-1-yl)propanamide
CID 46324349
N-(2-bromophenyl)-3-(3-methyl-2-oxoquinoxalin-1-yl)propanamide
CID 46324332

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-3-(3-methyl-2-oxoquinoxalin-1-yl)propanamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-3-(3-methyl-2-oxoquinoxalin-1-yl)propanamide (CID 46324354) is N-[(4-methoxyphenyl)methyl]-3-(3-methyl-2-oxoquinoxalin-1-yl)propanamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-3-(3-methyl-2-oxoquinoxalin-1-yl)propanamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-3-(3-methyl-2-oxoquinoxalin-1-yl)propanamide is COc1ccc(CNC(=O)CCn2c(=O)c(C)nc3ccccc32)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-3-(3-methyl-2-oxoquinoxalin-1-yl)propanamide?
The InChIKey is MZKRNURRZRWJDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-14-20(25)23(18-6-4-3-5-17(18)22-14)12-11-19(24)21-13-15-7-9-16(26-2)10-8-15/h3-10H,11-13H2,1-2H3,(H,21,24).
What are the key properties of N-[(4-methoxyphenyl)methyl]-3-(3-methyl-2-oxoquinoxalin-1-yl)propanamide?
N-[(4-methoxyphenyl)methyl]-3-(3-methyl-2-oxoquinoxalin-1-yl)propanamide has a molecular weight of 351.41 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-3-(3-methyl-2-oxoquinoxalin-1-yl)propanamide is sourced from PubChem (CID 46324354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).