8-methyl-2-(2-methylphenyl)-1-oxoisoquinoline-3-carboxylic acid

C18H15NO3 — CID 150799179

IUPAC8-methyl-2-(2-methylphenyl)-1-oxoisoquinoline-3-carboxylic acid
SMILESCc1ccccc1-n1c(C(=O)O)cc2cccc(C)c2c1=O
InChIInChI=1S/C18H15NO3/c1-11-6-3-4-9-14(11)19-15(18(21)22)10-13-8-5-7-12(2)16(13)17(19)20/h3-10H,1-2H3,(H,21,22)
InChIKeyKFMDPBBELAEVIE-UHFFFAOYSA-N
MW293.32 g/mol
LogP3.31
Rot. Bonds2

About 8-methyl-2-(2-methylphenyl)-1-oxoisoquinoline-3-carboxylic acid

8-methyl-2-(2-methylphenyl)-1-oxoisoquinoline-3-carboxylic acid (PubChem CID 150799179) has the molecular formula C18H15NO3 and a molecular weight of 293.32 g/mol. Its IUPAC name is 8-methyl-2-(2-methylphenyl)-1-oxoisoquinoline-3-carboxylic acid.

Molecular Properties

Compound Name8-methyl-2-(2-methylphenyl)-1-oxoisoquinoline-3-carboxylic acid
PubChem CID150799179
Molecular FormulaC18H15NO3
Molecular Weight293.32 g/mol
Exact Mass293.11
IUPAC Name8-methyl-2-(2-methylphenyl)-1-oxoisoquinoline-3-carboxylic acid
SMILESCc1ccccc1-n1c(C(=O)O)cc2cccc(C)c2c1=O
InChIInChI=1S/C18H15NO3/c1-11-6-3-4-9-14(11)19-15(18(21)22)10-13-8-5-7-12(2)16(13)17(19)20/h3-10H,1-2H3,(H,21,22)
InChIKeyKFMDPBBELAEVIE-UHFFFAOYSA-N
XLogP3.31
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-2-(2-methylphenyl)-1-oxoisoquinoline-3-carboxylic acid?
The IUPAC name of 8-methyl-2-(2-methylphenyl)-1-oxoisoquinoline-3-carboxylic acid (CID 150799179) is 8-methyl-2-(2-methylphenyl)-1-oxoisoquinoline-3-carboxylic acid.
What is the SMILES notation for 8-methyl-2-(2-methylphenyl)-1-oxoisoquinoline-3-carboxylic acid?
The canonical SMILES for 8-methyl-2-(2-methylphenyl)-1-oxoisoquinoline-3-carboxylic acid is Cc1ccccc1-n1c(C(=O)O)cc2cccc(C)c2c1=O.
What is the InChIKey of 8-methyl-2-(2-methylphenyl)-1-oxoisoquinoline-3-carboxylic acid?
The InChIKey is KFMDPBBELAEVIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO3/c1-11-6-3-4-9-14(11)19-15(18(21)22)10-13-8-5-7-12(2)16(13)17(19)20/h3-10H,1-2H3,(H,21,22).
What are the key properties of 8-methyl-2-(2-methylphenyl)-1-oxoisoquinoline-3-carboxylic acid?
8-methyl-2-(2-methylphenyl)-1-oxoisoquinoline-3-carboxylic acid has a molecular weight of 293.32 g/mol, XLogP of 3.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-2-(2-methylphenyl)-1-oxoisoquinoline-3-carboxylic acid is sourced from PubChem (CID 150799179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).