3-(2-methoxyphenyl)-5,6-dihydropyrrolo[2,1-a]isoquinoline

C19H17NO — CID 132527705

IUPAC3-(2-methoxyphenyl)-5,6-dihydropyrrolo[2,1-a]isoquinoline
SMILESCOc1ccccc1-c1ccc2n1CCc1ccccc1-2
InChIInChI=1S/C19H17NO/c1-21-19-9-5-4-8-16(19)18-11-10-17-15-7-3-2-6-14(15)12-13-20(17)18/h2-11H,12-13H2,1H3
InChIKeyBZFKFPIYTNMIDE-UHFFFAOYSA-N
MW275.35 g/mol
LogP4.39
Rot. Bonds2

About 3-(2-methoxyphenyl)-5,6-dihydropyrrolo[2,1-a]isoquinoline

3-(2-methoxyphenyl)-5,6-dihydropyrrolo[2,1-a]isoquinoline (PubChem CID 132527705) has the molecular formula C19H17NO and a molecular weight of 275.35 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-5,6-dihydropyrrolo[2,1-a]isoquinoline.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-5,6-dihydropyrrolo[2,1-a]isoquinoline
PubChem CID132527705
Molecular FormulaC19H17NO
Molecular Weight275.35 g/mol
Exact Mass275.13
IUPAC Name3-(2-methoxyphenyl)-5,6-dihydropyrrolo[2,1-a]isoquinoline
SMILESCOc1ccccc1-c1ccc2n1CCc1ccccc1-2
InChIInChI=1S/C19H17NO/c1-21-19-9-5-4-8-16(19)18-11-10-17-15-7-3-2-6-14(15)12-13-20(17)18/h2-11H,12-13H2,1H3
InChIKeyBZFKFPIYTNMIDE-UHFFFAOYSA-N
XLogP4.39
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-Methoxy-phenyl)-1-(5-phenyl-1H-pyrrol-2-ylmethyl)-piperidine
CID 14198560
Nnc052090
CID 9888030
17-Methoxy-11,21-dimethyl-11,21-diazatetracyclo[12.7.0.03,8.015,20]henicosa-1(14),3,5,7,15(20),16,18-heptaene
CID 16665071
1-(2-Methoxy-phenyl)-4-(1-methyl-5-phenyl-1H-pyrrol-2-ylmethyl)-piperazine
CID 44364142
2-[(2-Methoxyphenyl)methyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 791221
1-Ethyl-2-(4-methoxystyryl)quinolin-1-ium iodide
CID 14889101
3-(4-Methoxyphenyl)isoquinoline
CID 2752930
1-Ethyl-2-[2-(4-methoxyphenyl)ethenyl]quinolin-1-ium
CID 3534352
[2-Hydroxymethyl-3-(4-methoxyphenyl)-5,10-dihydropyrrolo[1,2-b]-isoquinolin-1-yl]methanol
CID 42597686
[3-(4-methoxyphenyl)-2-(methylcarbamoyloxymethyl)-5,10-dihydropyrrolo[1,2-b]isoquinolin-1-yl]methyl N-methylcarbamate
CID 42597937
8-Methoxy-2-methyl-5-phenethyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
CID 44126270
5-[2-(4-Methoxyphenyl)ethyl]-2,8-dimethyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
CID 44126325

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-5,6-dihydropyrrolo[2,1-a]isoquinoline?
The IUPAC name of 3-(2-methoxyphenyl)-5,6-dihydropyrrolo[2,1-a]isoquinoline (CID 132527705) is 3-(2-methoxyphenyl)-5,6-dihydropyrrolo[2,1-a]isoquinoline.
What is the SMILES notation for 3-(2-methoxyphenyl)-5,6-dihydropyrrolo[2,1-a]isoquinoline?
The canonical SMILES for 3-(2-methoxyphenyl)-5,6-dihydropyrrolo[2,1-a]isoquinoline is COc1ccccc1-c1ccc2n1CCc1ccccc1-2.
What is the InChIKey of 3-(2-methoxyphenyl)-5,6-dihydropyrrolo[2,1-a]isoquinoline?
The InChIKey is BZFKFPIYTNMIDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO/c1-21-19-9-5-4-8-16(19)18-11-10-17-15-7-3-2-6-14(15)12-13-20(17)18/h2-11H,12-13H2,1H3.
What are the key properties of 3-(2-methoxyphenyl)-5,6-dihydropyrrolo[2,1-a]isoquinoline?
3-(2-methoxyphenyl)-5,6-dihydropyrrolo[2,1-a]isoquinoline has a molecular weight of 275.35 g/mol, XLogP of 4.39, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-5,6-dihydropyrrolo[2,1-a]isoquinoline is sourced from PubChem (CID 132527705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).