5-hydroxy-8-methyl-2-(3-methyl-1-benzofuran-2-yl)quinoline-4-carboxylic acid

C20H15NO4 — CID 137049443

IUPAC5-hydroxy-8-methyl-2-(3-methyl-1-benzofuran-2-yl)quinoline-4-carboxylic acid
SMILESCc1c(-c2cc(C(=O)O)c3c(O)ccc(C)c3n2)oc2ccccc12
InChIInChI=1S/C20H15NO4/c1-10-7-8-15(22)17-13(20(23)24)9-14(21-18(10)17)19-11(2)12-5-3-4-6-16(12)25-19/h3-9,22H,1-2H3,(H,23,24)
InChIKeyKSEMNUQHZIAPLK-UHFFFAOYSA-N
MW333.34 g/mol
LogP4.67
Rot. Bonds2

About 5-hydroxy-8-methyl-2-(3-methyl-1-benzofuran-2-yl)quinoline-4-carboxylic acid

5-hydroxy-8-methyl-2-(3-methyl-1-benzofuran-2-yl)quinoline-4-carboxylic acid (PubChem CID 137049443) has the molecular formula C20H15NO4 and a molecular weight of 333.34 g/mol. Its IUPAC name is 5-hydroxy-8-methyl-2-(3-methyl-1-benzofuran-2-yl)quinoline-4-carboxylic acid.

Molecular Properties

Compound Name5-hydroxy-8-methyl-2-(3-methyl-1-benzofuran-2-yl)quinoline-4-carboxylic acid
PubChem CID137049443
Molecular FormulaC20H15NO4
Molecular Weight333.34 g/mol
Exact Mass333.10
IUPAC Name5-hydroxy-8-methyl-2-(3-methyl-1-benzofuran-2-yl)quinoline-4-carboxylic acid
SMILESCc1c(-c2cc(C(=O)O)c3c(O)ccc(C)c3n2)oc2ccccc12
InChIInChI=1S/C20H15NO4/c1-10-7-8-15(22)17-13(20(23)24)9-14(21-18(10)17)19-11(2)12-5-3-4-6-16(12)25-19/h3-9,22H,1-2H3,(H,23,24)
InChIKeyKSEMNUQHZIAPLK-UHFFFAOYSA-N
XLogP4.67
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.34
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-8-methyl-2-(3-methyl-1-benzofuran-2-yl)quinoline-4-carboxylic acid?
The IUPAC name of 5-hydroxy-8-methyl-2-(3-methyl-1-benzofuran-2-yl)quinoline-4-carboxylic acid (CID 137049443) is 5-hydroxy-8-methyl-2-(3-methyl-1-benzofuran-2-yl)quinoline-4-carboxylic acid.
What is the SMILES notation for 5-hydroxy-8-methyl-2-(3-methyl-1-benzofuran-2-yl)quinoline-4-carboxylic acid?
The canonical SMILES for 5-hydroxy-8-methyl-2-(3-methyl-1-benzofuran-2-yl)quinoline-4-carboxylic acid is Cc1c(-c2cc(C(=O)O)c3c(O)ccc(C)c3n2)oc2ccccc12.
What is the InChIKey of 5-hydroxy-8-methyl-2-(3-methyl-1-benzofuran-2-yl)quinoline-4-carboxylic acid?
The InChIKey is KSEMNUQHZIAPLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15NO4/c1-10-7-8-15(22)17-13(20(23)24)9-14(21-18(10)17)19-11(2)12-5-3-4-6-16(12)25-19/h3-9,22H,1-2H3,(H,23,24).
What are the key properties of 5-hydroxy-8-methyl-2-(3-methyl-1-benzofuran-2-yl)quinoline-4-carboxylic acid?
5-hydroxy-8-methyl-2-(3-methyl-1-benzofuran-2-yl)quinoline-4-carboxylic acid has a molecular weight of 333.34 g/mol, XLogP of 4.67, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-8-methyl-2-(3-methyl-1-benzofuran-2-yl)quinoline-4-carboxylic acid is sourced from PubChem (CID 137049443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).