2-(3-chlorophenyl)-8,9-dimethoxy-3-methyl-5,6-dihydropyrrolo[2,1-a]isoquinoline

C21H20ClNO2 — CID 142211315

IUPAC2-(3-chlorophenyl)-8,9-dimethoxy-3-methyl-5,6-dihydropyrrolo[2,1-a]isoquinoline
SMILESCOc1cc2c(cc1OC)-c1cc(-c3cccc(Cl)c3)c(C)n1CC2
InChIInChI=1S/C21H20ClNO2/c1-13-17(14-5-4-6-16(22)9-14)11-19-18-12-21(25-3)20(24-2)10-15(18)7-8-23(13)19/h4-6,9-12H,7-8H2,1-3H3
InChIKeyUXYGRGHJDPSVTB-UHFFFAOYSA-N
MW353.85 g/mol
LogP5.36
Rot. Bonds3

About 2-(3-chlorophenyl)-8,9-dimethoxy-3-methyl-5,6-dihydropyrrolo[2,1-a]isoquinoline

2-(3-chlorophenyl)-8,9-dimethoxy-3-methyl-5,6-dihydropyrrolo[2,1-a]isoquinoline (PubChem CID 142211315) has the molecular formula C21H20ClNO2 and a molecular weight of 353.85 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-8,9-dimethoxy-3-methyl-5,6-dihydropyrrolo[2,1-a]isoquinoline.

Molecular Properties

Compound Name2-(3-chlorophenyl)-8,9-dimethoxy-3-methyl-5,6-dihydropyrrolo[2,1-a]isoquinoline
PubChem CID142211315
Molecular FormulaC21H20ClNO2
Molecular Weight353.85 g/mol
Exact Mass353.12
IUPAC Name2-(3-chlorophenyl)-8,9-dimethoxy-3-methyl-5,6-dihydropyrrolo[2,1-a]isoquinoline
SMILESCOc1cc2c(cc1OC)-c1cc(-c3cccc(Cl)c3)c(C)n1CC2
InChIInChI=1S/C21H20ClNO2/c1-13-17(14-5-4-6-16(22)9-14)11-19-18-12-21(25-3)20(24-2)10-15(18)7-8-23(13)19/h4-6,9-12H,7-8H2,1-3H3
InChIKeyUXYGRGHJDPSVTB-UHFFFAOYSA-N
XLogP5.36
TPSA23.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.85
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-chlorophenyl)-(8,9-dimethoxy-2-phenyl-5,6-dihydropyrrolo[2,1-a]isoquinolin-3-yl)methanone
CID 166445744
2,3,8-trimethoxy-5,6-dihydroindolo[2,1-a]isoquinoline
CID 45483590
ethane;ethyl 2-(3-chlorophenyl)-9-ethoxy-8-methoxy-3-methyl-5,6-dihydropyrrolo[2,1-a]isoquinoline-1-carboxylate
CID 142146471
ethyl 2-(3-chlorophenyl)-8,9-dimethoxy-3-(methylaminomethyl)-5,6-dihydropyrrolo[2,1-a]isoquinoline-1-carboxylate
CID 10139079
2-(2,3-dimethylphenoxy)-9,10-dimethoxy-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
CID 20896181
2-(4-chloroanilino)-9,10-dimethoxy-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
CID 2041674
ethyl 2-(3,5-dichlorophenyl)-8,9-dimethoxy-3-methyl-5,6-dihydropyrrolo[2,1-a]isoquinoline-1-carboxylate
CID 20823061
methyl 2-(3-hydroxyphenyl)-8,9-dimethoxy-3-methyl-5,6-dihydropyrrolo[2,1-a]isoquinoline-1-carboxylate
CID 10200581
8,9-dimethoxy-3-phenyl-1-propyl-5,6-dihydroimidazo[5,1-a]isoquinoline
CID 139593043
8,9-dimethoxy-5,6-dihydroimidazo[5,1-a]isoquinolin-3-amine
CID 12748079
8,9-dimethoxy-3-phenyl-1-pyridin-3-yl-5,6-dihydroimidazo[5,1-a]isoquinoline
CID 70810136
2-chloro-9-ethoxy-10-methoxy-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
CID 146299674

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-8,9-dimethoxy-3-methyl-5,6-dihydropyrrolo[2,1-a]isoquinoline?
The IUPAC name of 2-(3-chlorophenyl)-8,9-dimethoxy-3-methyl-5,6-dihydropyrrolo[2,1-a]isoquinoline (CID 142211315) is 2-(3-chlorophenyl)-8,9-dimethoxy-3-methyl-5,6-dihydropyrrolo[2,1-a]isoquinoline.
What is the SMILES notation for 2-(3-chlorophenyl)-8,9-dimethoxy-3-methyl-5,6-dihydropyrrolo[2,1-a]isoquinoline?
The canonical SMILES for 2-(3-chlorophenyl)-8,9-dimethoxy-3-methyl-5,6-dihydropyrrolo[2,1-a]isoquinoline is COc1cc2c(cc1OC)-c1cc(-c3cccc(Cl)c3)c(C)n1CC2.
What is the InChIKey of 2-(3-chlorophenyl)-8,9-dimethoxy-3-methyl-5,6-dihydropyrrolo[2,1-a]isoquinoline?
The InChIKey is UXYGRGHJDPSVTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClNO2/c1-13-17(14-5-4-6-16(22)9-14)11-19-18-12-21(25-3)20(24-2)10-15(18)7-8-23(13)19/h4-6,9-12H,7-8H2,1-3H3.
What are the key properties of 2-(3-chlorophenyl)-8,9-dimethoxy-3-methyl-5,6-dihydropyrrolo[2,1-a]isoquinoline?
2-(3-chlorophenyl)-8,9-dimethoxy-3-methyl-5,6-dihydropyrrolo[2,1-a]isoquinoline has a molecular weight of 353.85 g/mol, XLogP of 5.36, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-8,9-dimethoxy-3-methyl-5,6-dihydropyrrolo[2,1-a]isoquinoline is sourced from PubChem (CID 142211315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).