methyl 2-[3-(4-methyl-3-oxoquinoxalin-2-yl)propanoylamino]acetate

C15H17N3O4 — CID 71704250

IUPACmethyl 2-[3-(4-methyl-3-oxoquinoxalin-2-yl)propanoylamino]acetate
SMILESCOC(=O)CNC(=O)CCc1nc2ccccc2n(C)c1=O
InChIInChI=1S/C15H17N3O4/c1-18-12-6-4-3-5-10(12)17-11(15(18)21)7-8-13(19)16-9-14(20)22-2/h3-6H,7-9H2,1-2H3,(H,16,19)
InChIKeyDMKYYMQEFSMMOE-UHFFFAOYSA-N
MW303.32 g/mol
LogP0.16
Rot. Bonds5

About methyl 2-[3-(4-methyl-3-oxoquinoxalin-2-yl)propanoylamino]acetate

methyl 2-[3-(4-methyl-3-oxoquinoxalin-2-yl)propanoylamino]acetate (PubChem CID 71704250) has the molecular formula C15H17N3O4 and a molecular weight of 303.32 g/mol. Its IUPAC name is methyl 2-[3-(4-methyl-3-oxoquinoxalin-2-yl)propanoylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[3-(4-methyl-3-oxoquinoxalin-2-yl)propanoylamino]acetate
PubChem CID71704250
Molecular FormulaC15H17N3O4
Molecular Weight303.32 g/mol
Exact Mass303.12
IUPAC Namemethyl 2-[3-(4-methyl-3-oxoquinoxalin-2-yl)propanoylamino]acetate
SMILESCOC(=O)CNC(=O)CCc1nc2ccccc2n(C)c1=O
InChIInChI=1S/C15H17N3O4/c1-18-12-6-4-3-5-10(12)17-11(15(18)21)7-8-13(19)16-9-14(20)22-2/h3-6H,7-9H2,1-2H3,(H,16,19)
InChIKeyDMKYYMQEFSMMOE-UHFFFAOYSA-N
XLogP0.16
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(4-methoxyindol-1-yl)ethyl]-3-(4-methyl-3-oxoquinoxalin-2-yl)propanamide
CID 110205311
N-[2-(5-methoxyindol-1-yl)ethyl]-3-(4-methyl-3-oxoquinoxalin-2-yl)propanamide
CID 110205717
N-[2-(1H-indol-3-yl)ethyl]-3-(4-methyl-3-oxoquinoxalin-2-yl)propanamide
CID 71692027
methyl (2R)-2-[3-(4-methyl-3-oxoquinoxalin-2-yl)propanoylamino]-4-methylsulfanylbutanoate
CID 124661124
N-benzyl-N-methyl-3-(4-methyl-3-oxoquinoxalin-2-yl)propanamide
CID 110205815
methyl 3-(6,7-dimethoxy-4-methyl-3-oxoquinoxalin-2-yl)propanoate
CID 14718200
N-[(2-chlorophenyl)methyl]-3-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]propanamide
CID 4095118
N-(4-methoxyphenyl)-3-[4-(4-methoxyphenyl)-3-oxoquinoxalin-2-yl]propanamide
CID 17447565
methyl 2-[3-(2-ethoxyphenyl)propanoylamino]acetate
CID 43406380
3-(3,5-dioxo-2H-1,2,4-triazin-6-yl)-N-[3-(1-methylbenzimidazol-2-yl)propyl]propanamide
CID 91821860
3-(2-bromophenyl)-N-[(1-methylbenzimidazol-2-yl)methyl]propanamide
CID 60528463
methyl 2-[[(R)-(1-methylbenzimidazol-2-yl)-phenylmethyl]amino]acetate
CID 99613603

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-(4-methyl-3-oxoquinoxalin-2-yl)propanoylamino]acetate?
The IUPAC name of methyl 2-[3-(4-methyl-3-oxoquinoxalin-2-yl)propanoylamino]acetate (CID 71704250) is methyl 2-[3-(4-methyl-3-oxoquinoxalin-2-yl)propanoylamino]acetate.
What is the SMILES notation for methyl 2-[3-(4-methyl-3-oxoquinoxalin-2-yl)propanoylamino]acetate?
The canonical SMILES for methyl 2-[3-(4-methyl-3-oxoquinoxalin-2-yl)propanoylamino]acetate is COC(=O)CNC(=O)CCc1nc2ccccc2n(C)c1=O.
What is the InChIKey of methyl 2-[3-(4-methyl-3-oxoquinoxalin-2-yl)propanoylamino]acetate?
The InChIKey is DMKYYMQEFSMMOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O4/c1-18-12-6-4-3-5-10(12)17-11(15(18)21)7-8-13(19)16-9-14(20)22-2/h3-6H,7-9H2,1-2H3,(H,16,19).
What are the key properties of methyl 2-[3-(4-methyl-3-oxoquinoxalin-2-yl)propanoylamino]acetate?
methyl 2-[3-(4-methyl-3-oxoquinoxalin-2-yl)propanoylamino]acetate has a molecular weight of 303.32 g/mol, XLogP of 0.16, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-(4-methyl-3-oxoquinoxalin-2-yl)propanoylamino]acetate is sourced from PubChem (CID 71704250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).