7-cyclobutyl-6-methylquinoline-3-carboxylic acid

C15H15NO2 — CID 129275964

IUPAC7-cyclobutyl-6-methylquinoline-3-carboxylic acid
SMILESCc1cc2cc(C(=O)O)cnc2cc1C1CCC1
InChIInChI=1S/C15H15NO2/c1-9-5-11-6-12(15(17)18)8-16-14(11)7-13(9)10-3-2-4-10/h5-8,10H,2-4H2,1H3,(H,17,18)
InChIKeyIVNYIDQFZKOLHL-UHFFFAOYSA-N
MW241.29 g/mol
LogP3.51
Rot. Bonds2

About 7-cyclobutyl-6-methylquinoline-3-carboxylic acid

7-cyclobutyl-6-methylquinoline-3-carboxylic acid (PubChem CID 129275964) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is 7-cyclobutyl-6-methylquinoline-3-carboxylic acid.

Molecular Properties

Compound Name7-cyclobutyl-6-methylquinoline-3-carboxylic acid
PubChem CID129275964
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC Name7-cyclobutyl-6-methylquinoline-3-carboxylic acid
SMILESCc1cc2cc(C(=O)O)cnc2cc1C1CCC1
InChIInChI=1S/C15H15NO2/c1-9-5-11-6-12(15(17)18)8-16-14(11)7-13(9)10-3-2-4-10/h5-8,10H,2-4H2,1H3,(H,17,18)
InChIKeyIVNYIDQFZKOLHL-UHFFFAOYSA-N
XLogP3.51
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-amino-6-methylquinoline-3-carboxylic acid
CID 129276404
6-chloro-7-(2,2-difluorocyclopropyl)quinoline-3-carboxylic acid
CID 129247514
6,7-dihydroxyquinoline-3-carboxylic acid
CID 135795174
6-cyclobutyloxy-5-cyclopropylpyridine-3-carboxylic acid
CID 89444053
7-(4-methylpiperidin-1-yl)quinoline-3-carboxylic acid
CID 172755774
6-cyclopentyl-5-methylpyridine-3-carboxylic acid;(6-cyclopentyl-5-methyl-3-pyridinyl)methanol
CID 163726400
2-cyclobutyl-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
CID 80503887
6-[cycloheptyl(methyl)amino]-5-methylpyridine-3-carboxylic acid
CID 80631026
6-chloroquinoline-3-carboxylic acid
CID 14241492
6-hydroxyquinoline-3-carboxylic acid
CID 58902455
6-iodo-7-methylsulfanylquinoline-3-carboxylic acid
CID 129276241
7-(azetidin-1-yl)-1,6-naphthyridine-3-carboxylic acid
CID 142496402

Frequently Asked Questions

What is the IUPAC name of 7-cyclobutyl-6-methylquinoline-3-carboxylic acid?
The IUPAC name of 7-cyclobutyl-6-methylquinoline-3-carboxylic acid (CID 129275964) is 7-cyclobutyl-6-methylquinoline-3-carboxylic acid.
What is the SMILES notation for 7-cyclobutyl-6-methylquinoline-3-carboxylic acid?
The canonical SMILES for 7-cyclobutyl-6-methylquinoline-3-carboxylic acid is Cc1cc2cc(C(=O)O)cnc2cc1C1CCC1.
What is the InChIKey of 7-cyclobutyl-6-methylquinoline-3-carboxylic acid?
The InChIKey is IVNYIDQFZKOLHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2/c1-9-5-11-6-12(15(17)18)8-16-14(11)7-13(9)10-3-2-4-10/h5-8,10H,2-4H2,1H3,(H,17,18).
What are the key properties of 7-cyclobutyl-6-methylquinoline-3-carboxylic acid?
7-cyclobutyl-6-methylquinoline-3-carboxylic acid has a molecular weight of 241.29 g/mol, XLogP of 3.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclobutyl-6-methylquinoline-3-carboxylic acid is sourced from PubChem (CID 129275964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).