7-methoxy-4-oxo-1-propylquinoline-3-carboxylic acid

C14H15NO4 — CID 142567547

IUPAC7-methoxy-4-oxo-1-propylquinoline-3-carboxylic acid
SMILESCCCn1cc(C(=O)O)c(=O)c2ccc(OC)cc21
InChIInChI=1S/C14H15NO4/c1-3-6-15-8-11(14(17)18)13(16)10-5-4-9(19-2)7-12(10)15/h4-5,7-8H,3,6H2,1-2H3,(H,17,18)
InChIKeyVGPTWEDVWVXKHN-UHFFFAOYSA-N
MW261.28 g/mol
LogP2.12
Rot. Bonds4

About 7-methoxy-4-oxo-1-propylquinoline-3-carboxylic acid

7-methoxy-4-oxo-1-propylquinoline-3-carboxylic acid (PubChem CID 142567547) has the molecular formula C14H15NO4 and a molecular weight of 261.28 g/mol. Its IUPAC name is 7-methoxy-4-oxo-1-propylquinoline-3-carboxylic acid.

Molecular Properties

Compound Name7-methoxy-4-oxo-1-propylquinoline-3-carboxylic acid
PubChem CID142567547
Molecular FormulaC14H15NO4
Molecular Weight261.28 g/mol
Exact Mass261.10
IUPAC Name7-methoxy-4-oxo-1-propylquinoline-3-carboxylic acid
SMILESCCCn1cc(C(=O)O)c(=O)c2ccc(OC)cc21
InChIInChI=1S/C14H15NO4/c1-3-6-15-8-11(14(17)18)13(16)10-5-4-9(19-2)7-12(10)15/h4-5,7-8H,3,6H2,1-2H3,(H,17,18)
InChIKeyVGPTWEDVWVXKHN-UHFFFAOYSA-N
XLogP2.12
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-4-oxo-1-propylquinoline-3-carboxylic acid?
The IUPAC name of 7-methoxy-4-oxo-1-propylquinoline-3-carboxylic acid (CID 142567547) is 7-methoxy-4-oxo-1-propylquinoline-3-carboxylic acid.
What is the SMILES notation for 7-methoxy-4-oxo-1-propylquinoline-3-carboxylic acid?
The canonical SMILES for 7-methoxy-4-oxo-1-propylquinoline-3-carboxylic acid is CCCn1cc(C(=O)O)c(=O)c2ccc(OC)cc21.
What is the InChIKey of 7-methoxy-4-oxo-1-propylquinoline-3-carboxylic acid?
The InChIKey is VGPTWEDVWVXKHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4/c1-3-6-15-8-11(14(17)18)13(16)10-5-4-9(19-2)7-12(10)15/h4-5,7-8H,3,6H2,1-2H3,(H,17,18).
What are the key properties of 7-methoxy-4-oxo-1-propylquinoline-3-carboxylic acid?
7-methoxy-4-oxo-1-propylquinoline-3-carboxylic acid has a molecular weight of 261.28 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-4-oxo-1-propylquinoline-3-carboxylic acid is sourced from PubChem (CID 142567547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).