ethyl 2-naphthalen-1-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-1-carboxylate

C25H21NO2 — CID 141104085

IUPACethyl 2-naphthalen-1-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-1-carboxylate
SMILESCCOC(=O)c1c(-c2cccc3ccccc23)cn2c1-c1ccccc1CC2
InChIInChI=1S/C25H21NO2/c1-2-28-25(27)23-22(21-13-7-10-17-8-3-5-11-19(17)21)16-26-15-14-18-9-4-6-12-20(18)24(23)26/h3-13,16H,2,14-15H2,1H3
InChIKeyIXLYYMGXZOWBQN-UHFFFAOYSA-N
MW367.45 g/mol
LogP5.71
Rot. Bonds3

About ethyl 2-naphthalen-1-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-1-carboxylate

ethyl 2-naphthalen-1-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-1-carboxylate (PubChem CID 141104085) has the molecular formula C25H21NO2 and a molecular weight of 367.45 g/mol. Its IUPAC name is ethyl 2-naphthalen-1-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-naphthalen-1-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-1-carboxylate
PubChem CID141104085
Molecular FormulaC25H21NO2
Molecular Weight367.45 g/mol
Exact Mass367.16
IUPAC Nameethyl 2-naphthalen-1-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-1-carboxylate
SMILESCCOC(=O)c1c(-c2cccc3ccccc23)cn2c1-c1ccccc1CC2
InChIInChI=1S/C25H21NO2/c1-2-28-25(27)23-22(21-13-7-10-17-8-3-5-11-19(17)21)16-26-15-14-18-9-4-6-12-20(18)24(23)26/h3-13,16H,2,14-15H2,1H3
InChIKeyIXLYYMGXZOWBQN-UHFFFAOYSA-N
XLogP5.71
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.45
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 102363988
ethyl 5-methyl-2-naphthalen-1-yl-1H-imidazole-4-carboxylate
CID 53404405
ethyl 13,15-dioxo-14-oxa-10-azatetracyclo[8.6.0.02,7.012,16]hexadeca-1(16),2,4,6,11-pentaene-11-carboxylate
CID 102203297
ethyl (5S)-8,9-dimethoxy-3,5-dimethyl-2-naphthalen-1-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-1-carboxylate
CID 68616711
diethyl phenanthrene-9,10-dicarboxylate
CID 135029572
ethyl 3-methyl-2-naphthalen-1-yl-4-oxochromeno[3,4-b]pyrrole-1-carboxylate
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tetraethyl octacyclo[16.16.0.02,15.05,14.06,11.019,32.022,31.023,28]tetratriaconta-1(18),2,4,6,8,10,12,14,16,19,21,23,25,27,29,31,33-heptadecaene-3,4,20,21-tetracarboxylate
CID 134962471
4-[(3-ethoxycarbonyl-4-naphthalen-1-ylthiophen-2-yl)amino]-4-oxobutanoic acid
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ethyl 2,6-dimethylbenzoate
CID 520807
diethyl 2,6-diamino-1,5-dinaphthalen-1-yl-4,8-dihydropyrrolo[2,3-f]indole-3,7-dicarboxylate
CID 102301546
ethyl 2-(aminomethyl)-5-naphthalen-1-yl-1-benzothiophene-3-carboxylate
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Frequently Asked Questions

What is the IUPAC name of ethyl 2-naphthalen-1-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-1-carboxylate?
The IUPAC name of ethyl 2-naphthalen-1-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-1-carboxylate (CID 141104085) is ethyl 2-naphthalen-1-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-1-carboxylate.
What is the SMILES notation for ethyl 2-naphthalen-1-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-1-carboxylate?
The canonical SMILES for ethyl 2-naphthalen-1-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-1-carboxylate is CCOC(=O)c1c(-c2cccc3ccccc23)cn2c1-c1ccccc1CC2.
What is the InChIKey of ethyl 2-naphthalen-1-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-1-carboxylate?
The InChIKey is IXLYYMGXZOWBQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21NO2/c1-2-28-25(27)23-22(21-13-7-10-17-8-3-5-11-19(17)21)16-26-15-14-18-9-4-6-12-20(18)24(23)26/h3-13,16H,2,14-15H2,1H3.
What are the key properties of ethyl 2-naphthalen-1-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-1-carboxylate?
ethyl 2-naphthalen-1-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-1-carboxylate has a molecular weight of 367.45 g/mol, XLogP of 5.71, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-naphthalen-1-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-1-carboxylate is sourced from PubChem (CID 141104085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).