8,9-dimethoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-1-carboxylic acid

C15H15NO4 — CID 57077858

IUPAC8,9-dimethoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-1-carboxylic acid
SMILESCOc1cc2c(cc1OC)-c1c(C(=O)O)ccn1CC2
InChIInChI=1S/C15H15NO4/c1-19-12-7-9-3-5-16-6-4-10(15(17)18)14(16)11(9)8-13(12)20-2/h4,6-8H,3,5H2,1-2H3,(H,17,18)
InChIKeyPGKOBJKIDNVORT-UHFFFAOYSA-N
MW273.29 g/mol
LogP2.43
Rot. Bonds3

About 8,9-dimethoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-1-carboxylic acid

8,9-dimethoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-1-carboxylic acid (PubChem CID 57077858) has the molecular formula C15H15NO4 and a molecular weight of 273.29 g/mol. Its IUPAC name is 8,9-dimethoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-1-carboxylic acid.

Molecular Properties

Compound Name8,9-dimethoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-1-carboxylic acid
PubChem CID57077858
Molecular FormulaC15H15NO4
Molecular Weight273.29 g/mol
Exact Mass273.10
IUPAC Name8,9-dimethoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-1-carboxylic acid
SMILESCOc1cc2c(cc1OC)-c1c(C(=O)O)ccn1CC2
InChIInChI=1S/C15H15NO4/c1-19-12-7-9-3-5-16-6-4-10(15(17)18)14(16)11(9)8-13(12)20-2/h4,6-8H,3,5H2,1-2H3,(H,17,18)
InChIKeyPGKOBJKIDNVORT-UHFFFAOYSA-N
XLogP2.43
TPSA60.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

cyclopropyl-[8-(difluoromethoxy)-9-methoxy-5,6-dihydropyrrolo[2,1-a]isoquinolin-1-yl]methanone
CID 11602414
1-(8-chloro-9-methoxy-5,6-dihydropyrrolo[2,1-a]isoquinolin-1-yl)propan-1-one
CID 11630667
9-[3-(4-carboxyphenyl)propoxy]-10-methoxy-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid
CID 170602227
ethyl 8,9-dimethoxy-1-phenyl-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxylate
CID 66925895
10-methoxy-9-(3-methoxypropoxy)-6,7-dihydrobenzo[a]quinolizin-2-one
CID 144959410
4-[8,9-dimethoxy-1-(3,4,5-trimethoxyphenyl)-5,6-dihydropyrrolo[2,1-a]isoquinolin-2-yl]phenol
CID 44817655
2,3,6,7-tetramethoxy-9,10-dihydrophenanthrene
CID 848565
4,5-dimethoxy-10,14,15-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(17),2,4,6,11,13,15-heptaene
CID 67809413
10-methoxy-9-[[3-(methoxymethyl)oxetan-3-yl]methoxy]-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid
CID 138692243
1-(4-chlorophenyl)-8,9-dimethoxy-5,6-dihydroimidazo[5,1-a]isoquinoline
CID 70681151
acetic acid;8,9-dimethoxy-1,3-dimethyl-2-(1H-pyrrol-2-yl)-5,6-dihydropyrrolo[2,1-a]isoquinoline;ethane
CID 142212750
6,7-dimethoxy-1-phenyl-4H-indeno[2,1-d]pyrazole-3-carboxylic acid
CID 39377695

Frequently Asked Questions

What is the IUPAC name of 8,9-dimethoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-1-carboxylic acid?
The IUPAC name of 8,9-dimethoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-1-carboxylic acid (CID 57077858) is 8,9-dimethoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-1-carboxylic acid.
What is the SMILES notation for 8,9-dimethoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-1-carboxylic acid?
The canonical SMILES for 8,9-dimethoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-1-carboxylic acid is COc1cc2c(cc1OC)-c1c(C(=O)O)ccn1CC2.
What is the InChIKey of 8,9-dimethoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-1-carboxylic acid?
The InChIKey is PGKOBJKIDNVORT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4/c1-19-12-7-9-3-5-16-6-4-10(15(17)18)14(16)11(9)8-13(12)20-2/h4,6-8H,3,5H2,1-2H3,(H,17,18).
What are the key properties of 8,9-dimethoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-1-carboxylic acid?
8,9-dimethoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-1-carboxylic acid has a molecular weight of 273.29 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8,9-dimethoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-1-carboxylic acid is sourced from PubChem (CID 57077858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).