8-methoxy-1-methylisoquinoline-7-carboxylic acid

C12H11NO3 — CID 84682582

IUPAC8-methoxy-1-methylisoquinoline-7-carboxylic acid
SMILESCOc1c(C(=O)O)ccc2ccnc(C)c12
InChIInChI=1S/C12H11NO3/c1-7-10-8(5-6-13-7)3-4-9(12(14)15)11(10)16-2/h3-6H,1-2H3,(H,14,15)
InChIKeyIECUSOSHDOSOAO-UHFFFAOYSA-N
MW217.22 g/mol
LogP2.25
Rot. Bonds2

About 8-methoxy-1-methylisoquinoline-7-carboxylic acid

8-methoxy-1-methylisoquinoline-7-carboxylic acid (PubChem CID 84682582) has the molecular formula C12H11NO3 and a molecular weight of 217.22 g/mol. Its IUPAC name is 8-methoxy-1-methylisoquinoline-7-carboxylic acid.

Molecular Properties

Compound Name8-methoxy-1-methylisoquinoline-7-carboxylic acid
PubChem CID84682582
Molecular FormulaC12H11NO3
Molecular Weight217.22 g/mol
Exact Mass217.07
IUPAC Name8-methoxy-1-methylisoquinoline-7-carboxylic acid
SMILESCOc1c(C(=O)O)ccc2ccnc(C)c12
InChIInChI=1S/C12H11NO3/c1-7-10-8(5-6-13-7)3-4-9(12(14)15)11(10)16-2/h3-6H,1-2H3,(H,14,15)
InChIKeyIECUSOSHDOSOAO-UHFFFAOYSA-N
XLogP2.25
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 118895257
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3-methoxy-2-(trifluoromethyl)pyridine-4-carboxylic acid
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2-hydroxy-3-methoxyterephthalic acid
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3,4-dibromo-2-methoxybenzoic acid
CID 171002402
7-methoxy-1,2-benzoxazole-6-carboxylic acid
CID 117109900
2-chloro-3-methoxyterephthalic acid
CID 126601706
2-amino-3-methoxyterephthalic acid
CID 132516468
7-methoxy-1-methylindazole-6-carboxylic acid
CID 117109695
4-methoxy-2H-indazole-5-carboxylic acid
CID 135829581
2-methoxy-5-methylbenzene-1,3-dicarboxylic acid
CID 59710724
6-methoxy-8-methylquinoline-4-carboxylic acid
CID 83640648

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-1-methylisoquinoline-7-carboxylic acid?
The IUPAC name of 8-methoxy-1-methylisoquinoline-7-carboxylic acid (CID 84682582) is 8-methoxy-1-methylisoquinoline-7-carboxylic acid.
What is the SMILES notation for 8-methoxy-1-methylisoquinoline-7-carboxylic acid?
The canonical SMILES for 8-methoxy-1-methylisoquinoline-7-carboxylic acid is COc1c(C(=O)O)ccc2ccnc(C)c12.
What is the InChIKey of 8-methoxy-1-methylisoquinoline-7-carboxylic acid?
The InChIKey is IECUSOSHDOSOAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO3/c1-7-10-8(5-6-13-7)3-4-9(12(14)15)11(10)16-2/h3-6H,1-2H3,(H,14,15).
What are the key properties of 8-methoxy-1-methylisoquinoline-7-carboxylic acid?
8-methoxy-1-methylisoquinoline-7-carboxylic acid has a molecular weight of 217.22 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-1-methylisoquinoline-7-carboxylic acid is sourced from PubChem (CID 84682582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).