6,7-dimethoxy-3-phenylquinoline-4-carboxylic acid

C18H15NO4 — CID 18788641

IUPAC6,7-dimethoxy-3-phenylquinoline-4-carboxylic acid
SMILESCOc1cc2ncc(-c3ccccc3)c(C(=O)O)c2cc1OC
InChIInChI=1S/C18H15NO4/c1-22-15-8-12-14(9-16(15)23-2)19-10-13(17(12)18(20)21)11-6-4-3-5-7-11/h3-10H,1-2H3,(H,20,21)
InChIKeyJGORBGDOIOBOAF-UHFFFAOYSA-N
MW309.32 g/mol
LogP3.62
Rot. Bonds4

About 6,7-dimethoxy-3-phenylquinoline-4-carboxylic acid

6,7-dimethoxy-3-phenylquinoline-4-carboxylic acid (PubChem CID 18788641) has the molecular formula C18H15NO4 and a molecular weight of 309.32 g/mol. Its IUPAC name is 6,7-dimethoxy-3-phenylquinoline-4-carboxylic acid.

Molecular Properties

Compound Name6,7-dimethoxy-3-phenylquinoline-4-carboxylic acid
PubChem CID18788641
Molecular FormulaC18H15NO4
Molecular Weight309.32 g/mol
Exact Mass309.10
IUPAC Name6,7-dimethoxy-3-phenylquinoline-4-carboxylic acid
SMILESCOc1cc2ncc(-c3ccccc3)c(C(=O)O)c2cc1OC
InChIInChI=1S/C18H15NO4/c1-22-15-8-12-14(9-16(15)23-2)19-10-13(17(12)18(20)21)11-6-4-3-5-7-11/h3-10H,1-2H3,(H,20,21)
InChIKeyJGORBGDOIOBOAF-UHFFFAOYSA-N
XLogP3.62
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-3-phenylquinoline-4-carboxylic acid?
The IUPAC name of 6,7-dimethoxy-3-phenylquinoline-4-carboxylic acid (CID 18788641) is 6,7-dimethoxy-3-phenylquinoline-4-carboxylic acid.
What is the SMILES notation for 6,7-dimethoxy-3-phenylquinoline-4-carboxylic acid?
The canonical SMILES for 6,7-dimethoxy-3-phenylquinoline-4-carboxylic acid is COc1cc2ncc(-c3ccccc3)c(C(=O)O)c2cc1OC.
What is the InChIKey of 6,7-dimethoxy-3-phenylquinoline-4-carboxylic acid?
The InChIKey is JGORBGDOIOBOAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO4/c1-22-15-8-12-14(9-16(15)23-2)19-10-13(17(12)18(20)21)11-6-4-3-5-7-11/h3-10H,1-2H3,(H,20,21).
What are the key properties of 6,7-dimethoxy-3-phenylquinoline-4-carboxylic acid?
6,7-dimethoxy-3-phenylquinoline-4-carboxylic acid has a molecular weight of 309.32 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-3-phenylquinoline-4-carboxylic acid is sourced from PubChem (CID 18788641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).