3-methyl-2-quinolin-7-yloxybutanoic acid

C14H15NO3 — CID 107313050

IUPAC3-methyl-2-quinolin-7-yloxybutanoic acid
SMILESCC(C)C(Oc1ccc2cccnc2c1)C(=O)O
InChIInChI=1S/C14H15NO3/c1-9(2)13(14(16)17)18-11-6-5-10-4-3-7-15-12(10)8-11/h3-9,13H,1-2H3,(H,16,17)
InChIKeyQILUXZUGQNQUHU-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.72
Rot. Bonds4

About 3-methyl-2-quinolin-7-yloxybutanoic acid

3-methyl-2-quinolin-7-yloxybutanoic acid (PubChem CID 107313050) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is 3-methyl-2-quinolin-7-yloxybutanoic acid.

Molecular Properties

Compound Name3-methyl-2-quinolin-7-yloxybutanoic acid
PubChem CID107313050
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Name3-methyl-2-quinolin-7-yloxybutanoic acid
SMILESCC(C)C(Oc1ccc2cccnc2c1)C(=O)O
InChIInChI=1S/C14H15NO3/c1-9(2)13(14(16)17)18-11-6-5-10-4-3-7-15-12(10)8-11/h3-9,13H,1-2H3,(H,16,17)
InChIKeyQILUXZUGQNQUHU-UHFFFAOYSA-N
XLogP2.72
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-(dichloromethoxy)quinoline
CID 174788382
2-(methylamino)-3-quinolin-7-yloxypropanoic acid
CID 107314757
N-methyl-2-quinolin-7-yloxypropan-1-amine
CID 107313762
7-[(2R)-1-methoxypropan-2-yl]oxyquinoline
CID 141434593
quinolin-7-yl N,N-dimethylcarbamate
CID 11218314
1-(4-quinolin-7-yloxyphenyl)ethanone
CID 107313857
2-methyl-N-(2-quinolin-7-yloxypropyl)propan-2-amine
CID 107314978
quinolin-7-yl quinoline-7-carboxylate
CID 142797869
N-(2-methylpropyl)-4-quinolin-7-yloxypentan-1-amine
CID 107315179
ethyl 3-methyl-2-quinolin-7-ylbutanoate
CID 81224996
quinolin-7-yl N,N-diethylcarbamate
CID 11334036
4-methyl-2-quinolin-7-yloxybenzoic acid
CID 107313379

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-quinolin-7-yloxybutanoic acid?
The IUPAC name of 3-methyl-2-quinolin-7-yloxybutanoic acid (CID 107313050) is 3-methyl-2-quinolin-7-yloxybutanoic acid.
What is the SMILES notation for 3-methyl-2-quinolin-7-yloxybutanoic acid?
The canonical SMILES for 3-methyl-2-quinolin-7-yloxybutanoic acid is CC(C)C(Oc1ccc2cccnc2c1)C(=O)O.
What is the InChIKey of 3-methyl-2-quinolin-7-yloxybutanoic acid?
The InChIKey is QILUXZUGQNQUHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c1-9(2)13(14(16)17)18-11-6-5-10-4-3-7-15-12(10)8-11/h3-9,13H,1-2H3,(H,16,17).
What are the key properties of 3-methyl-2-quinolin-7-yloxybutanoic acid?
3-methyl-2-quinolin-7-yloxybutanoic acid has a molecular weight of 245.28 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-quinolin-7-yloxybutanoic acid is sourced from PubChem (CID 107313050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).