ethyl 2-(4-methyl-2,3-dihydroquinoxalin-1-yl)butanoate

C15H22N2O2 — CID 64663497

IUPACethyl 2-(4-methyl-2,3-dihydroquinoxalin-1-yl)butanoate
SMILESCCOC(=O)C(CC)N1CCN(C)c2ccccc21
InChIInChI=1S/C15H22N2O2/c1-4-12(15(18)19-5-2)17-11-10-16(3)13-8-6-7-9-14(13)17/h6-9,12H,4-5,10-11H2,1-3H3
InChIKeyBZWKCVIWOXHTOE-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.28
Rot. Bonds4

About ethyl 2-(4-methyl-2,3-dihydroquinoxalin-1-yl)butanoate

ethyl 2-(4-methyl-2,3-dihydroquinoxalin-1-yl)butanoate (PubChem CID 64663497) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is ethyl 2-(4-methyl-2,3-dihydroquinoxalin-1-yl)butanoate.

Molecular Properties

Compound Nameethyl 2-(4-methyl-2,3-dihydroquinoxalin-1-yl)butanoate
PubChem CID64663497
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Nameethyl 2-(4-methyl-2,3-dihydroquinoxalin-1-yl)butanoate
SMILESCCOC(=O)C(CC)N1CCN(C)c2ccccc21
InChIInChI=1S/C15H22N2O2/c1-4-12(15(18)19-5-2)17-11-10-16(3)13-8-6-7-9-14(13)17/h6-9,12H,4-5,10-11H2,1-3H3
InChIKeyBZWKCVIWOXHTOE-UHFFFAOYSA-N
XLogP2.28
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-methyl-2,3-dihydroquinoxalin-1-yl)pentanethioamide
CID 63778748
ethyl 2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)butanoate
CID 64661866
3-ethyl-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)pentan-1-amine
CID 63778737
tert-butyl 2-(4-methyl-2,3-dihydroquinoxalin-1-yl)propanoate
CID 66339250
3-methyl-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)butanoic acid
CID 63777493
2-(aminomethyl)-1-(4-methyl-2,3-dihydroquinoxalin-1-yl)butan-1-one
CID 63779129
3-(4-methyl-2,3-dihydroquinoxalin-1-yl)butan-1-amine
CID 63777654
2-ethoxy-3-(4-methyl-2,3-dihydroquinoxalin-1-yl)propanoic acid
CID 63779171
ethyl (2R)-2-[4,4-dioxo-3-(pyrrolidine-1-carbonyl)-4λ6,1,2-benzothiadiazin-1-yl]butanoate
CID 95098090
N,N-diethyl-4-methyl-2,3-dihydroquinoxaline-1-carboxamide
CID 115641411
2-(3,4-dihydro-2H-quinolin-1-yl)butanamide
CID 62901418
ethyl 2-[4,4-dioxo-3-(piperidine-1-carbonyl)-4λ6,1,2-benzothiadiazin-1-yl]butanoate
CID 51364557

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-methyl-2,3-dihydroquinoxalin-1-yl)butanoate?
The IUPAC name of ethyl 2-(4-methyl-2,3-dihydroquinoxalin-1-yl)butanoate (CID 64663497) is ethyl 2-(4-methyl-2,3-dihydroquinoxalin-1-yl)butanoate.
What is the SMILES notation for ethyl 2-(4-methyl-2,3-dihydroquinoxalin-1-yl)butanoate?
The canonical SMILES for ethyl 2-(4-methyl-2,3-dihydroquinoxalin-1-yl)butanoate is CCOC(=O)C(CC)N1CCN(C)c2ccccc21.
What is the InChIKey of ethyl 2-(4-methyl-2,3-dihydroquinoxalin-1-yl)butanoate?
The InChIKey is BZWKCVIWOXHTOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-4-12(15(18)19-5-2)17-11-10-16(3)13-8-6-7-9-14(13)17/h6-9,12H,4-5,10-11H2,1-3H3.
What are the key properties of ethyl 2-(4-methyl-2,3-dihydroquinoxalin-1-yl)butanoate?
ethyl 2-(4-methyl-2,3-dihydroquinoxalin-1-yl)butanoate has a molecular weight of 262.35 g/mol, XLogP of 2.28, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-methyl-2,3-dihydroquinoxalin-1-yl)butanoate is sourced from PubChem (CID 64663497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).