ethyl 9-ethyl-8-methoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate

C18H21NO3 — CID 89464710

IUPACethyl 9-ethyl-8-methoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate
SMILESCCOC(=O)c1cc2n(c1)CCc1cc(OC)c(CC)cc1-2
InChIInChI=1S/C18H21NO3/c1-4-12-8-15-13(10-17(12)21-3)6-7-19-11-14(9-16(15)19)18(20)22-5-2/h8-11H,4-7H2,1-3H3
InChIKeyUTQZXSTVULKGJF-UHFFFAOYSA-N
MW299.37 g/mol
LogP3.46
Rot. Bonds4

About ethyl 9-ethyl-8-methoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate

ethyl 9-ethyl-8-methoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate (PubChem CID 89464710) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is ethyl 9-ethyl-8-methoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate.

Molecular Properties

Compound Nameethyl 9-ethyl-8-methoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate
PubChem CID89464710
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC Nameethyl 9-ethyl-8-methoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate
SMILESCCOC(=O)c1cc2n(c1)CCc1cc(OC)c(CC)cc1-2
InChIInChI=1S/C18H21NO3/c1-4-12-8-15-13(10-17(12)21-3)6-7-19-11-14(9-16(15)19)18(20)22-5-2/h8-11H,4-7H2,1-3H3
InChIKeyUTQZXSTVULKGJF-UHFFFAOYSA-N
XLogP3.46
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 8,9-dihydroxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate
CID 129199068
ethane;ethyl 10-methoxy-9-[(3-methoxycyclobutyl)methoxy]-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylate;propane
CID 145449973
ethyl 6-hydroxy-14-oxo-4,8-dioxa-17-azatetracyclo[9.8.0.03,9.012,17]nonadeca-1,3(9),10,12,15-pentaene-15-carboxylate
CID 146180911
8-methoxy-9-pyridin-3-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylic acid
CID 89464697
2-(2-aminoethyl)-7-ethyl-6-methoxy-3,4-dihydroisoquinolin-1-one
CID 82279753
ethyl 5,6,7,8-tetrahydroindolizine-2-carboxylate
CID 122223917
2-oxo-9,10-dipropoxy-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid
CID 118251775
9-[3-(4-carboxyphenyl)propoxy]-10-methoxy-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid
CID 170602227
methyl 11-oxo-5,6-dihydropyrrolo[1,2-c][3]benzazepine-2-carboxylate
CID 13152889
ethyl 8,9-dimethoxy-1-phenyl-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxylate
CID 66925895
ethyl 1-formyl-5,6-dihydro-[1,3]benzodioxolo[5,6-g]indolizine-2-carboxylate
CID 13380419
ethyl 8,9-dimethoxy-3-methyl-2-(1-methylpyrrol-2-yl)-5,6-dihydropyrrolo[2,1-a]isoquinoline-1-carboxylate
CID 59125469

Frequently Asked Questions

What is the IUPAC name of ethyl 9-ethyl-8-methoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate?
The IUPAC name of ethyl 9-ethyl-8-methoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate (CID 89464710) is ethyl 9-ethyl-8-methoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate.
What is the SMILES notation for ethyl 9-ethyl-8-methoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate?
The canonical SMILES for ethyl 9-ethyl-8-methoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate is CCOC(=O)c1cc2n(c1)CCc1cc(OC)c(CC)cc1-2.
What is the InChIKey of ethyl 9-ethyl-8-methoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate?
The InChIKey is UTQZXSTVULKGJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3/c1-4-12-8-15-13(10-17(12)21-3)6-7-19-11-14(9-16(15)19)18(20)22-5-2/h8-11H,4-7H2,1-3H3.
What are the key properties of ethyl 9-ethyl-8-methoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate?
ethyl 9-ethyl-8-methoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate has a molecular weight of 299.37 g/mol, XLogP of 3.46, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 9-ethyl-8-methoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate is sourced from PubChem (CID 89464710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).