6-methoxy-1-(3-methoxybenzoyl)isoquinoline-4-carboxylic acid

C19H15NO5 — CID 57390973

IUPAC6-methoxy-1-(3-methoxybenzoyl)isoquinoline-4-carboxylic acid
SMILESCOc1cccc(C(=O)c2ncc(C(=O)O)c3cc(OC)ccc23)c1
InChIInChI=1S/C19H15NO5/c1-24-12-5-3-4-11(8-12)18(21)17-14-7-6-13(25-2)9-15(14)16(10-20-17)19(22)23/h3-10H,1-2H3,(H,22,23)
InChIKeySJLGQDOGOFTOPY-UHFFFAOYSA-N
MW337.33 g/mol
LogP3.18
Rot. Bonds5

About 6-methoxy-1-(3-methoxybenzoyl)isoquinoline-4-carboxylic acid

6-methoxy-1-(3-methoxybenzoyl)isoquinoline-4-carboxylic acid (PubChem CID 57390973) has the molecular formula C19H15NO5 and a molecular weight of 337.33 g/mol. Its IUPAC name is 6-methoxy-1-(3-methoxybenzoyl)isoquinoline-4-carboxylic acid.

Molecular Properties

Compound Name6-methoxy-1-(3-methoxybenzoyl)isoquinoline-4-carboxylic acid
PubChem CID57390973
Molecular FormulaC19H15NO5
Molecular Weight337.33 g/mol
Exact Mass337.10
IUPAC Name6-methoxy-1-(3-methoxybenzoyl)isoquinoline-4-carboxylic acid
SMILESCOc1cccc(C(=O)c2ncc(C(=O)O)c3cc(OC)ccc23)c1
InChIInChI=1S/C19H15NO5/c1-24-12-5-3-4-11(8-12)18(21)17-14-7-6-13(25-2)9-15(14)16(10-20-17)19(22)23/h3-10H,1-2H3,(H,22,23)
InChIKeySJLGQDOGOFTOPY-UHFFFAOYSA-N
XLogP3.18
TPSA85.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.33
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-methoxy-1-(3-methoxybenzoyl)isoquinoline-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6,7-dimethoxy-1-(3-methoxybenzoyl)isoquinoline-4-carboxylic acid;ethyl 6,7-dimethoxy-1-(3-methoxybenzoyl)isoquinoline-4-carboxylate;methane;sulfane
CID 159787544
1-[3-(2-hydroxyethoxy)benzoyl]-6,7-dimethoxyisoquinoline-4-carboxylic acid
CID 11326961
1-[3-(1-amino-3-methyl-1-oxobutan-2-yl)oxybenzoyl]-6,7-dimethoxyisoquinoline-4-carboxylic acid
CID 22048418
1,7-dimethoxyisoquinoline-4-carboxylic acid
CID 84696458
1-[3-(1-amino-3-methyl-1-oxobutan-2-yl)oxybenzoyl]-6,7-dimethoxyisoquinoline-4-carboxylic acid;2,2,2-trifluoroacetic acid
CID 86595629
6,7-dimethoxy-1-[3-[2-oxo-2-(1-phenylethylamino)ethoxy]benzoyl]isoquinoline-4-carboxylic acid
CID 11432279
6-(3-hydroxypropoxy)-7-methoxy-1-(3-propan-2-yloxybenzoyl)isoquinoline-4-carboxylic acid
CID 11166544
1-[3-(furan-2-yl)benzoyl]-6,7-dimethoxyisoquinoline-4-carboxylic acid
CID 11200490
1-(3-ethoxybenzoyl)-6,7-dimethoxyisoquinoline-4-carboxamide;hydrochloride
CID 131725821
6-amino-5-(3-methoxybenzoyl)-1H-pyrimidin-2-one
CID 82085699
(3-chloropyrazin-2-yl)-(3-methoxyphenyl)methanone
CID 119085248
sodium;(3-methoxyphenyl)-phenylmethanone;hydroxide
CID 18779399

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1-(3-methoxybenzoyl)isoquinoline-4-carboxylic acid?
The IUPAC name of 6-methoxy-1-(3-methoxybenzoyl)isoquinoline-4-carboxylic acid (CID 57390973) is 6-methoxy-1-(3-methoxybenzoyl)isoquinoline-4-carboxylic acid.
What is the SMILES notation for 6-methoxy-1-(3-methoxybenzoyl)isoquinoline-4-carboxylic acid?
The canonical SMILES for 6-methoxy-1-(3-methoxybenzoyl)isoquinoline-4-carboxylic acid is COc1cccc(C(=O)c2ncc(C(=O)O)c3cc(OC)ccc23)c1.
What is the InChIKey of 6-methoxy-1-(3-methoxybenzoyl)isoquinoline-4-carboxylic acid?
The InChIKey is SJLGQDOGOFTOPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO5/c1-24-12-5-3-4-11(8-12)18(21)17-14-7-6-13(25-2)9-15(14)16(10-20-17)19(22)23/h3-10H,1-2H3,(H,22,23).
What are the key properties of 6-methoxy-1-(3-methoxybenzoyl)isoquinoline-4-carboxylic acid?
6-methoxy-1-(3-methoxybenzoyl)isoquinoline-4-carboxylic acid has a molecular weight of 337.33 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1-(3-methoxybenzoyl)isoquinoline-4-carboxylic acid is sourced from PubChem (CID 57390973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).