3-butan-2-yloxyquinoline-4-carboxylic acid

C14H15NO3 — CID 79594936

IUPAC3-butan-2-yloxyquinoline-4-carboxylic acid
SMILESCCC(C)Oc1cnc2ccccc2c1C(=O)O
InChIInChI=1S/C14H15NO3/c1-3-9(2)18-12-8-15-11-7-5-4-6-10(11)13(12)14(16)17/h4-9H,3H2,1-2H3,(H,16,17)
InChIKeyLAYSHVXBWRWOCF-UHFFFAOYSA-N
MW245.28 g/mol
LogP3.11
Rot. Bonds4

About 3-butan-2-yloxyquinoline-4-carboxylic acid

3-butan-2-yloxyquinoline-4-carboxylic acid (PubChem CID 79594936) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is 3-butan-2-yloxyquinoline-4-carboxylic acid.

Molecular Properties

Compound Name3-butan-2-yloxyquinoline-4-carboxylic acid
PubChem CID79594936
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Name3-butan-2-yloxyquinoline-4-carboxylic acid
SMILESCCC(C)Oc1cnc2ccccc2c1C(=O)O
InChIInChI=1S/C14H15NO3/c1-3-9(2)18-12-8-15-11-7-5-4-6-10(11)13(12)14(16)17/h4-9H,3H2,1-2H3,(H,16,17)
InChIKeyLAYSHVXBWRWOCF-UHFFFAOYSA-N
XLogP3.11
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 ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-(dimethylamino)-1-oxopropan-2-yl]oxyquinoline-4-carboxylic acid
CID 79591700
3-pentoxyquinoline-4-carboxylic acid
CID 79593988
3-(2-ethyl-2-hydroxybutoxy)quinoline-4-carboxylic acid
CID 114491348
3-(3-ethoxy-2-hydroxypropoxy)quinoline-4-carboxylic acid
CID 79591696
3-(3,3-dimethylbutoxy)quinoline-4-carboxylic acid
CID 79593820
N-butan-2-yl-3-methoxyquinoline-4-carboxamide
CID 110848533
3-(3-fluoropropoxy)quinoline-4-carboxylic acid
CID 81106756
3-(1-ethylimidazol-2-yl)oxyquinoline-4-carboxylic acid
CID 79591959
3-[(5-methylfuran-2-yl)methoxy]quinoline-4-carboxylic acid
CID 79591735
3-[3-(difluoromethyl)phenoxy]quinoline-4-carboxylic acid
CID 162357719
3-chloroquinoline-4-carboxylic acid
CID 22158738
3-bromoquinoline-4-carboxylic acid
CID 119083564

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yloxyquinoline-4-carboxylic acid?
The IUPAC name of 3-butan-2-yloxyquinoline-4-carboxylic acid (CID 79594936) is 3-butan-2-yloxyquinoline-4-carboxylic acid.
What is the SMILES notation for 3-butan-2-yloxyquinoline-4-carboxylic acid?
The canonical SMILES for 3-butan-2-yloxyquinoline-4-carboxylic acid is CCC(C)Oc1cnc2ccccc2c1C(=O)O.
What is the InChIKey of 3-butan-2-yloxyquinoline-4-carboxylic acid?
The InChIKey is LAYSHVXBWRWOCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c1-3-9(2)18-12-8-15-11-7-5-4-6-10(11)13(12)14(16)17/h4-9H,3H2,1-2H3,(H,16,17).
What are the key properties of 3-butan-2-yloxyquinoline-4-carboxylic acid?
3-butan-2-yloxyquinoline-4-carboxylic acid has a molecular weight of 245.28 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yloxyquinoline-4-carboxylic acid is sourced from PubChem (CID 79594936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).