ethyl 1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2,5-dimethylpyrrole-3-carboxylate

C20H24N2O3 — CID 35531501

IUPACethyl 1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2,5-dimethylpyrrole-3-carboxylate
SMILESCCOC(=O)c1cc(C)n(CC(=O)N2CCCc3ccccc32)c1C
InChIInChI=1S/C20H24N2O3/c1-4-25-20(24)17-12-14(2)22(15(17)3)13-19(23)21-11-7-9-16-8-5-6-10-18(16)21/h5-6,8,10,12H,4,7,9,11,13H2,1-3H3
InChIKeyYUZSYMGQDPOTDF-UHFFFAOYSA-N
MW340.42 g/mol
LogP3.26
Rot. Bonds4

About ethyl 1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2,5-dimethylpyrrole-3-carboxylate

ethyl 1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2,5-dimethylpyrrole-3-carboxylate (PubChem CID 35531501) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is ethyl 1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2,5-dimethylpyrrole-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2,5-dimethylpyrrole-3-carboxylate
PubChem CID35531501
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Nameethyl 1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2,5-dimethylpyrrole-3-carboxylate
SMILESCCOC(=O)c1cc(C)n(CC(=O)N2CCCc3ccccc32)c1C
InChIInChI=1S/C20H24N2O3/c1-4-25-20(24)17-12-14(2)22(15(17)3)13-19(23)21-11-7-9-16-8-5-6-10-18(16)21/h5-6,8,10,12H,4,7,9,11,13H2,1-3H3
InChIKeyYUZSYMGQDPOTDF-UHFFFAOYSA-N
XLogP3.26
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2,5-dimethylpyrrole-3-carboxylate with MolForge

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Related Compounds

ethyl 2-[[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]amino]benzoate
CID 109034988
ethyl 3,4,5,6-tetrahydro-2H-1-benzazocine-1-carboxylate
CID 10376695
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-ethylpiperazin-1-yl)ethanone
CID 78789991
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2,5-dimethyl-1-phenylpyrrole-3-carboxylate
CID 3887060
2-(3-ethoxycarbonyl-2,5-dimethylpyrrol-1-yl)acetic acid
CID 7130686
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-methylpiperazin-1-yl)ethanone
CID 858988
ethyl 2,5-dimethyl-1-[2-oxo-2-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]pyrrole-3-carboxylate
CID 33167726
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]ethanone
CID 2361983
ethyl 4-(3,4-dihydro-2H-quinoline-1-carbothioylamino)benzoate
CID 19686763
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(2-ethoxyphenyl)piperazin-1-yl]ethanone
CID 8703661
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(2-ethylsulfonylbenzimidazol-1-yl)ethanone
CID 18576773
3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-methyl-6-phenylpyrimidin-4-one
CID 7747963

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2,5-dimethylpyrrole-3-carboxylate?
The IUPAC name of ethyl 1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2,5-dimethylpyrrole-3-carboxylate (CID 35531501) is ethyl 1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2,5-dimethylpyrrole-3-carboxylate.
What is the SMILES notation for ethyl 1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2,5-dimethylpyrrole-3-carboxylate?
The canonical SMILES for ethyl 1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2,5-dimethylpyrrole-3-carboxylate is CCOC(=O)c1cc(C)n(CC(=O)N2CCCc3ccccc32)c1C.
What is the InChIKey of ethyl 1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2,5-dimethylpyrrole-3-carboxylate?
The InChIKey is YUZSYMGQDPOTDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-4-25-20(24)17-12-14(2)22(15(17)3)13-19(23)21-11-7-9-16-8-5-6-10-18(16)21/h5-6,8,10,12H,4,7,9,11,13H2,1-3H3.
What are the key properties of ethyl 1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2,5-dimethylpyrrole-3-carboxylate?
ethyl 1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2,5-dimethylpyrrole-3-carboxylate has a molecular weight of 340.42 g/mol, XLogP of 3.26, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2,5-dimethylpyrrole-3-carboxylate is sourced from PubChem (CID 35531501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).