7,8-dimethoxy-5-methylpyrrolo[3,4-c]isoquinoline-1,3-dione

C14H12N2O4 — CID 623368

IUPAC7,8-dimethoxy-5-methylpyrrolo[3,4-c]isoquinoline-1,3-dione
SMILESCOc1cc2c(C)nc3c(c2cc1OC)C(=O)NC3=O
InChIInChI=1S/C14H12N2O4/c1-6-7-4-9(19-2)10(20-3)5-8(7)11-12(15-6)14(18)16-13(11)17/h4-5H,1-3H3,(H,16,17,18)
InChIKeyZNNFNCWOYGHXNZ-UHFFFAOYSA-N
MW272.26 g/mol
LogP1.44
Rot. Bonds2

About 7,8-dimethoxy-5-methylpyrrolo[3,4-c]isoquinoline-1,3-dione

7,8-dimethoxy-5-methylpyrrolo[3,4-c]isoquinoline-1,3-dione (PubChem CID 623368) has the molecular formula C14H12N2O4 and a molecular weight of 272.26 g/mol. Its IUPAC name is 7,8-dimethoxy-5-methylpyrrolo[3,4-c]isoquinoline-1,3-dione.

Molecular Properties

Compound Name7,8-dimethoxy-5-methylpyrrolo[3,4-c]isoquinoline-1,3-dione
PubChem CID623368
Molecular FormulaC14H12N2O4
Molecular Weight272.26 g/mol
Exact Mass272.08
IUPAC Name7,8-dimethoxy-5-methylpyrrolo[3,4-c]isoquinoline-1,3-dione
SMILESCOc1cc2c(C)nc3c(c2cc1OC)C(=O)NC3=O
InChIInChI=1S/C14H12N2O4/c1-6-7-4-9(19-2)10(20-3)5-8(7)11-12(15-6)14(18)16-13(11)17/h4-5H,1-3H3,(H,16,17,18)
InChIKeyZNNFNCWOYGHXNZ-UHFFFAOYSA-N
XLogP1.44
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

5-Ethyl-7,8-dimethoxy-1H-pyrrolo[3,4-c]isoquinoline-1,3(2H)-dione
CID 23829003
7,8-Dimethoxypyrrolo[3,4-c]isoquinoline-1,3-dione
CID 15314616
Pyrrolo(2,1-a)isoquinoline-3-carboxylic acid, 5,6-dihydro-2-((2-(diethylamino)ethyl)carbamoyl)-8,9-dimethoxy-
CID 205214
1-(Aminomethyl)-6,7-dimethoxyisoquinoline-4-carboxamide;hydrochloride
CID 45259984
1-(aminomethyl)-6,7-dimethoxy-N-propylisoquinoline-4-carboxamide;hydrochloride
CID 45264231
2-(2-Acetyl-4,5-dimethoxyphenyl)-4-methyl-1H,2H,3H-pyrrolo[3,4-C]quinoline-1,3-dione
CID 22422591
1-Aminomethyl-6,7-dimethoxy-isoquinoline-4-carboxylic acid propylamide; hydrochloride
CID 12043870
7,8-Dimethoxypyrrolo[3,4-c]cinnoline-1,3-dione
CID 135008558
1-Aminomethyl-6,7-dimethoxy-isoquinoline-4-carboxylic acid amide; hydrochloride
CID 44286562
methyl 5-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 45762197
9-Amino-2-ethyl-5-(3,4-dimethoxyphenyl)-2,3-dihydropyrrolo[3,4-b]quinolin-1-one
CID 25130338
1-Aminomethyl-6,7-dimethoxy-isoquinoline-4-carboxylic acid (2-methoxy-ethyl)-amide
CID 46847164

Frequently Asked Questions

What is the IUPAC name of 7,8-dimethoxy-5-methylpyrrolo[3,4-c]isoquinoline-1,3-dione?
The IUPAC name of 7,8-dimethoxy-5-methylpyrrolo[3,4-c]isoquinoline-1,3-dione (CID 623368) is 7,8-dimethoxy-5-methylpyrrolo[3,4-c]isoquinoline-1,3-dione.
What is the SMILES notation for 7,8-dimethoxy-5-methylpyrrolo[3,4-c]isoquinoline-1,3-dione?
The canonical SMILES for 7,8-dimethoxy-5-methylpyrrolo[3,4-c]isoquinoline-1,3-dione is COc1cc2c(C)nc3c(c2cc1OC)C(=O)NC3=O.
What is the InChIKey of 7,8-dimethoxy-5-methylpyrrolo[3,4-c]isoquinoline-1,3-dione?
The InChIKey is ZNNFNCWOYGHXNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O4/c1-6-7-4-9(19-2)10(20-3)5-8(7)11-12(15-6)14(18)16-13(11)17/h4-5H,1-3H3,(H,16,17,18).
What are the key properties of 7,8-dimethoxy-5-methylpyrrolo[3,4-c]isoquinoline-1,3-dione?
7,8-dimethoxy-5-methylpyrrolo[3,4-c]isoquinoline-1,3-dione has a molecular weight of 272.26 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dimethoxy-5-methylpyrrolo[3,4-c]isoquinoline-1,3-dione is sourced from PubChem (CID 623368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).