8-methyl-2-(3-methyl-1-benzofuran-2-yl)-5-[[(3R)-oxan-3-yl]methoxy]quinoline-4-carboxylic acid

C26H25NO5 — CID 146346028

IUPAC8-methyl-2-(3-methyl-1-benzofuran-2-yl)-5-[[(3R)-oxan-3-yl]methoxy]quinoline-4-carboxylic acid
SMILESCc1c(-c2cc(C(=O)O)c3c(OC[C@@H]4CCCOC4)ccc(C)c3n2)oc2ccccc12
InChIInChI=1S/C26H25NO5/c1-15-9-10-22(31-14-17-6-5-11-30-13-17)23-19(26(28)29)12-20(27-24(15)23)25-16(2)18-7-3-4-8-21(18)32-25/h3-4,7-10,12,17H,5-6,11,13-14H2,1-2H3,(H,28,29)/t17-/m1/s1
InChIKeyMPIWDBGACIRVGV-QGZVFWFLSA-N
MW431.49 g/mol
LogP5.77
Rot. Bonds5

About 8-methyl-2-(3-methyl-1-benzofuran-2-yl)-5-[[(3R)-oxan-3-yl]methoxy]quinoline-4-carboxylic acid

8-methyl-2-(3-methyl-1-benzofuran-2-yl)-5-[[(3R)-oxan-3-yl]methoxy]quinoline-4-carboxylic acid (PubChem CID 146346028) has the molecular formula C26H25NO5 and a molecular weight of 431.49 g/mol. Its IUPAC name is 8-methyl-2-(3-methyl-1-benzofuran-2-yl)-5-[[(3R)-oxan-3-yl]methoxy]quinoline-4-carboxylic acid.

Molecular Properties

Compound Name8-methyl-2-(3-methyl-1-benzofuran-2-yl)-5-[[(3R)-oxan-3-yl]methoxy]quinoline-4-carboxylic acid
PubChem CID146346028
Molecular FormulaC26H25NO5
Molecular Weight431.49 g/mol
Exact Mass431.17
IUPAC Name8-methyl-2-(3-methyl-1-benzofuran-2-yl)-5-[[(3R)-oxan-3-yl]methoxy]quinoline-4-carboxylic acid
SMILESCc1c(-c2cc(C(=O)O)c3c(OC[C@@H]4CCCOC4)ccc(C)c3n2)oc2ccccc12
InChIInChI=1S/C26H25NO5/c1-15-9-10-22(31-14-17-6-5-11-30-13-17)23-19(26(28)29)12-20(27-24(15)23)25-16(2)18-7-3-4-8-21(18)32-25/h3-4,7-10,12,17H,5-6,11,13-14H2,1-2H3,(H,28,29)/t17-/m1/s1
InChIKeyMPIWDBGACIRVGV-QGZVFWFLSA-N
XLogP5.77
TPSA81.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.49
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 8-methyl-2-(3-methyl-1-benzofuran-2-yl)-5-[[(3R)-oxan-3-yl]methoxy]quinoline-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

Frequently Asked Questions

What is the IUPAC name of 8-methyl-2-(3-methyl-1-benzofuran-2-yl)-5-[[(3R)-oxan-3-yl]methoxy]quinoline-4-carboxylic acid?
The IUPAC name of 8-methyl-2-(3-methyl-1-benzofuran-2-yl)-5-[[(3R)-oxan-3-yl]methoxy]quinoline-4-carboxylic acid (CID 146346028) is 8-methyl-2-(3-methyl-1-benzofuran-2-yl)-5-[[(3R)-oxan-3-yl]methoxy]quinoline-4-carboxylic acid.
What is the SMILES notation for 8-methyl-2-(3-methyl-1-benzofuran-2-yl)-5-[[(3R)-oxan-3-yl]methoxy]quinoline-4-carboxylic acid?
The canonical SMILES for 8-methyl-2-(3-methyl-1-benzofuran-2-yl)-5-[[(3R)-oxan-3-yl]methoxy]quinoline-4-carboxylic acid is Cc1c(-c2cc(C(=O)O)c3c(OC[C@@H]4CCCOC4)ccc(C)c3n2)oc2ccccc12.
What is the InChIKey of 8-methyl-2-(3-methyl-1-benzofuran-2-yl)-5-[[(3R)-oxan-3-yl]methoxy]quinoline-4-carboxylic acid?
The InChIKey is MPIWDBGACIRVGV-QGZVFWFLSA-N. The full InChI is InChI=1S/C26H25NO5/c1-15-9-10-22(31-14-17-6-5-11-30-13-17)23-19(26(28)29)12-20(27-24(15)23)25-16(2)18-7-3-4-8-21(18)32-25/h3-4,7-10,12,17H,5-6,11,13-14H2,1-2H3,(H,28,29)/t17-/m1/s1.
What are the key properties of 8-methyl-2-(3-methyl-1-benzofuran-2-yl)-5-[[(3R)-oxan-3-yl]methoxy]quinoline-4-carboxylic acid?
8-methyl-2-(3-methyl-1-benzofuran-2-yl)-5-[[(3R)-oxan-3-yl]methoxy]quinoline-4-carboxylic acid has a molecular weight of 431.49 g/mol, XLogP of 5.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-2-(3-methyl-1-benzofuran-2-yl)-5-[[(3R)-oxan-3-yl]methoxy]quinoline-4-carboxylic acid is sourced from PubChem (CID 146346028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).