ethyl 3-[4-[(4-chlorophenyl)methyl]-3-oxoquinoxalin-2-yl]propanoate

C20H19ClN2O3 — CID 4640836

IUPACethyl 3-[4-[(4-chlorophenyl)methyl]-3-oxoquinoxalin-2-yl]propanoate
SMILESCCOC(=O)CCc1nc2ccccc2n(Cc2ccc(Cl)cc2)c1=O
InChIInChI=1S/C20H19ClN2O3/c1-2-26-19(24)12-11-17-20(25)23(13-14-7-9-15(21)10-8-14)18-6-4-3-5-16(18)22-17/h3-10H,2,11-13H2,1H3
InChIKeyVOADNCTYMOHDCO-UHFFFAOYSA-N
MW370.84 g/mol
LogP3.59
Rot. Bonds6

About ethyl 3-[4-[(4-chlorophenyl)methyl]-3-oxoquinoxalin-2-yl]propanoate

ethyl 3-[4-[(4-chlorophenyl)methyl]-3-oxoquinoxalin-2-yl]propanoate (PubChem CID 4640836) has the molecular formula C20H19ClN2O3 and a molecular weight of 370.84 g/mol. Its IUPAC name is ethyl 3-[4-[(4-chlorophenyl)methyl]-3-oxoquinoxalin-2-yl]propanoate.

Molecular Properties

Compound Nameethyl 3-[4-[(4-chlorophenyl)methyl]-3-oxoquinoxalin-2-yl]propanoate
PubChem CID4640836
Molecular FormulaC20H19ClN2O3
Molecular Weight370.84 g/mol
Exact Mass370.11
IUPAC Nameethyl 3-[4-[(4-chlorophenyl)methyl]-3-oxoquinoxalin-2-yl]propanoate
SMILESCCOC(=O)CCc1nc2ccccc2n(Cc2ccc(Cl)cc2)c1=O
InChIInChI=1S/C20H19ClN2O3/c1-2-26-19(24)12-11-17-20(25)23(13-14-7-9-15(21)10-8-14)18-6-4-3-5-16(18)22-17/h3-10H,2,11-13H2,1H3
InChIKeyVOADNCTYMOHDCO-UHFFFAOYSA-N
XLogP3.59
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.84
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 3-[4-[(4-chlorophenyl)methyl]-3-oxoquinoxalin-2-yl]propanoate with MolForge

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Related Compounds

ethyl 4-[[2-[3-(4-butyl-3-oxoquinoxalin-2-yl)propanoyloxy]acetyl]amino]butanoate
CID 55308605
N-[(2-chlorophenyl)methyl]-3-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]propanamide
CID 4095118
[2-(4-ethylphenyl)-2-oxoethyl] 3-(4-butyl-3-oxoquinoxalin-2-yl)propanoate
CID 55308579
1-benzyl-3-ethylquinoxalin-2-one
CID 91739681
methyl 2-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]sulfanylacetate
CID 43814545
2-[3-[(4-chlorophenyl)methyl]-2-oxoquinoxalin-1-yl]acetic acid
CID 72724187
(1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 3-(4-benzyl-7-chloro-3-oxoquinoxalin-2-yl)propanoate
CID 3720581
2-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]sulfanyl-N,N-diethylacetamide
CID 1470365
(3,3-dimethyl-2-oxobutyl) 3-[4-benzyl-3-oxo-7-(trifluoromethyl)quinoxalin-2-yl]propanoate
CID 3940799
[2-(4-fluorophenyl)-2-oxoethyl] 3-(4-butyl-3-oxoquinoxalin-2-yl)propanoate
CID 7637882
ethyl 4-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]-3,3-dimethylbutanoate
CID 14953040
N-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]acetamide
CID 867624

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[4-[(4-chlorophenyl)methyl]-3-oxoquinoxalin-2-yl]propanoate?
The IUPAC name of ethyl 3-[4-[(4-chlorophenyl)methyl]-3-oxoquinoxalin-2-yl]propanoate (CID 4640836) is ethyl 3-[4-[(4-chlorophenyl)methyl]-3-oxoquinoxalin-2-yl]propanoate.
What is the SMILES notation for ethyl 3-[4-[(4-chlorophenyl)methyl]-3-oxoquinoxalin-2-yl]propanoate?
The canonical SMILES for ethyl 3-[4-[(4-chlorophenyl)methyl]-3-oxoquinoxalin-2-yl]propanoate is CCOC(=O)CCc1nc2ccccc2n(Cc2ccc(Cl)cc2)c1=O.
What is the InChIKey of ethyl 3-[4-[(4-chlorophenyl)methyl]-3-oxoquinoxalin-2-yl]propanoate?
The InChIKey is VOADNCTYMOHDCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O3/c1-2-26-19(24)12-11-17-20(25)23(13-14-7-9-15(21)10-8-14)18-6-4-3-5-16(18)22-17/h3-10H,2,11-13H2,1H3.
What are the key properties of ethyl 3-[4-[(4-chlorophenyl)methyl]-3-oxoquinoxalin-2-yl]propanoate?
ethyl 3-[4-[(4-chlorophenyl)methyl]-3-oxoquinoxalin-2-yl]propanoate has a molecular weight of 370.84 g/mol, XLogP of 3.59, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[4-[(4-chlorophenyl)methyl]-3-oxoquinoxalin-2-yl]propanoate is sourced from PubChem (CID 4640836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).