7-hydroxy-1-(3-hydroxy-4-methoxybenzoyl)-6-methoxyisoquinoline-3-carboxylic acid

C19H15NO7 — CID 11089952

IUPAC7-hydroxy-1-(3-hydroxy-4-methoxybenzoyl)-6-methoxyisoquinoline-3-carboxylic acid
SMILESCOc1ccc(C(=O)c2nc(C(=O)O)cc3cc(OC)c(O)cc23)cc1O
InChIInChI=1S/C19H15NO7/c1-26-15-4-3-9(6-13(15)21)18(23)17-11-8-14(22)16(27-2)7-10(11)5-12(20-17)19(24)25/h3-8,21-22H,1-2H3,(H,24,25)
InChIKeyVEOXQWGYGMQICJ-UHFFFAOYSA-N
MW369.33 g/mol
LogP2.59
Rot. Bonds5

About 7-hydroxy-1-(3-hydroxy-4-methoxybenzoyl)-6-methoxyisoquinoline-3-carboxylic acid

7-hydroxy-1-(3-hydroxy-4-methoxybenzoyl)-6-methoxyisoquinoline-3-carboxylic acid (PubChem CID 11089952) has the molecular formula C19H15NO7 and a molecular weight of 369.33 g/mol. Its IUPAC name is 7-hydroxy-1-(3-hydroxy-4-methoxybenzoyl)-6-methoxyisoquinoline-3-carboxylic acid.

Molecular Properties

Compound Name7-hydroxy-1-(3-hydroxy-4-methoxybenzoyl)-6-methoxyisoquinoline-3-carboxylic acid
PubChem CID11089952
Molecular FormulaC19H15NO7
Molecular Weight369.33 g/mol
Exact Mass369.08
IUPAC Name7-hydroxy-1-(3-hydroxy-4-methoxybenzoyl)-6-methoxyisoquinoline-3-carboxylic acid
SMILESCOc1ccc(C(=O)c2nc(C(=O)O)cc3cc(OC)c(O)cc23)cc1O
InChIInChI=1S/C19H15NO7/c1-26-15-4-3-9(6-13(15)21)18(23)17-11-8-14(22)16(27-2)7-10(11)5-12(20-17)19(24)25/h3-8,21-22H,1-2H3,(H,24,25)
InChIKeyVEOXQWGYGMQICJ-UHFFFAOYSA-N
XLogP2.59
TPSA126.18 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.33
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-1-(3-hydroxy-4-methoxybenzoyl)-6-methoxyisoquinoline-3-carboxylic acid?
The IUPAC name of 7-hydroxy-1-(3-hydroxy-4-methoxybenzoyl)-6-methoxyisoquinoline-3-carboxylic acid (CID 11089952) is 7-hydroxy-1-(3-hydroxy-4-methoxybenzoyl)-6-methoxyisoquinoline-3-carboxylic acid.
What is the SMILES notation for 7-hydroxy-1-(3-hydroxy-4-methoxybenzoyl)-6-methoxyisoquinoline-3-carboxylic acid?
The canonical SMILES for 7-hydroxy-1-(3-hydroxy-4-methoxybenzoyl)-6-methoxyisoquinoline-3-carboxylic acid is COc1ccc(C(=O)c2nc(C(=O)O)cc3cc(OC)c(O)cc23)cc1O.
What is the InChIKey of 7-hydroxy-1-(3-hydroxy-4-methoxybenzoyl)-6-methoxyisoquinoline-3-carboxylic acid?
The InChIKey is VEOXQWGYGMQICJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO7/c1-26-15-4-3-9(6-13(15)21)18(23)17-11-8-14(22)16(27-2)7-10(11)5-12(20-17)19(24)25/h3-8,21-22H,1-2H3,(H,24,25).
What are the key properties of 7-hydroxy-1-(3-hydroxy-4-methoxybenzoyl)-6-methoxyisoquinoline-3-carboxylic acid?
7-hydroxy-1-(3-hydroxy-4-methoxybenzoyl)-6-methoxyisoquinoline-3-carboxylic acid has a molecular weight of 369.33 g/mol, XLogP of 2.59, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-1-(3-hydroxy-4-methoxybenzoyl)-6-methoxyisoquinoline-3-carboxylic acid is sourced from PubChem (CID 11089952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).