2-cyclopropyl-6-methoxy-8-methylquinoline-4-carboxylic acid

C15H15NO3 — CID 84636491

IUPAC2-cyclopropyl-6-methoxy-8-methylquinoline-4-carboxylic acid
SMILESCOc1cc(C)c2nc(C3CC3)cc(C(=O)O)c2c1
InChIInChI=1S/C15H15NO3/c1-8-5-10(19-2)6-11-12(15(17)18)7-13(9-3-4-9)16-14(8)11/h5-7,9H,3-4H2,1-2H3,(H,17,18)
InChIKeyZLNQZMOWBSQQSC-UHFFFAOYSA-N
MW257.29 g/mol
LogP3.13
Rot. Bonds3

About 2-cyclopropyl-6-methoxy-8-methylquinoline-4-carboxylic acid

2-cyclopropyl-6-methoxy-8-methylquinoline-4-carboxylic acid (PubChem CID 84636491) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is 2-cyclopropyl-6-methoxy-8-methylquinoline-4-carboxylic acid.

Molecular Properties

Compound Name2-cyclopropyl-6-methoxy-8-methylquinoline-4-carboxylic acid
PubChem CID84636491
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Name2-cyclopropyl-6-methoxy-8-methylquinoline-4-carboxylic acid
SMILESCOc1cc(C)c2nc(C3CC3)cc(C(=O)O)c2c1
InChIInChI=1S/C15H15NO3/c1-8-5-10(19-2)6-11-12(15(17)18)7-13(9-3-4-9)16-14(8)11/h5-7,9H,3-4H2,1-2H3,(H,17,18)
InChIKeyZLNQZMOWBSQQSC-UHFFFAOYSA-N
XLogP3.13
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-methoxy-8-methylquinoline-4-carboxylic acid?
The IUPAC name of 2-cyclopropyl-6-methoxy-8-methylquinoline-4-carboxylic acid (CID 84636491) is 2-cyclopropyl-6-methoxy-8-methylquinoline-4-carboxylic acid.
What is the SMILES notation for 2-cyclopropyl-6-methoxy-8-methylquinoline-4-carboxylic acid?
The canonical SMILES for 2-cyclopropyl-6-methoxy-8-methylquinoline-4-carboxylic acid is COc1cc(C)c2nc(C3CC3)cc(C(=O)O)c2c1.
What is the InChIKey of 2-cyclopropyl-6-methoxy-8-methylquinoline-4-carboxylic acid?
The InChIKey is ZLNQZMOWBSQQSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3/c1-8-5-10(19-2)6-11-12(15(17)18)7-13(9-3-4-9)16-14(8)11/h5-7,9H,3-4H2,1-2H3,(H,17,18).
What are the key properties of 2-cyclopropyl-6-methoxy-8-methylquinoline-4-carboxylic acid?
2-cyclopropyl-6-methoxy-8-methylquinoline-4-carboxylic acid has a molecular weight of 257.29 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-methoxy-8-methylquinoline-4-carboxylic acid is sourced from PubChem (CID 84636491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).