3-[1-(dimethylamino)-1-oxopropan-2-yl]oxyquinoline-4-carboxylic acid

C15H16N2O4 — CID 79591700

IUPAC3-[1-(dimethylamino)-1-oxopropan-2-yl]oxyquinoline-4-carboxylic acid
SMILESCC(Oc1cnc2ccccc2c1C(=O)O)C(=O)N(C)C
InChIInChI=1S/C15H16N2O4/c1-9(14(18)17(2)3)21-12-8-16-11-7-5-4-6-10(11)13(12)15(19)20/h4-9H,1-3H3,(H,19,20)
InChIKeyKIIYGVFKUSJNBA-UHFFFAOYSA-N
MW288.30 g/mol
LogP1.79
Rot. Bonds4

About 3-[1-(dimethylamino)-1-oxopropan-2-yl]oxyquinoline-4-carboxylic acid

3-[1-(dimethylamino)-1-oxopropan-2-yl]oxyquinoline-4-carboxylic acid (PubChem CID 79591700) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is 3-[1-(dimethylamino)-1-oxopropan-2-yl]oxyquinoline-4-carboxylic acid.

Molecular Properties

Compound Name3-[1-(dimethylamino)-1-oxopropan-2-yl]oxyquinoline-4-carboxylic acid
PubChem CID79591700
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name3-[1-(dimethylamino)-1-oxopropan-2-yl]oxyquinoline-4-carboxylic acid
SMILESCC(Oc1cnc2ccccc2c1C(=O)O)C(=O)N(C)C
InChIInChI=1S/C15H16N2O4/c1-9(14(18)17(2)3)21-12-8-16-11-7-5-4-6-10(11)13(12)15(19)20/h4-9H,1-3H3,(H,19,20)
InChIKeyKIIYGVFKUSJNBA-UHFFFAOYSA-N
XLogP1.79
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-butan-2-yloxyquinoline-4-carboxylic acid
CID 79594936
3-pentoxyquinoline-4-carboxylic acid
CID 79593988
3-(3,3-dimethylbutoxy)quinoline-4-carboxylic acid
CID 79593820
3-(3-fluoropropoxy)quinoline-4-carboxylic acid
CID 81106756
3-(2-ethyl-2-hydroxybutoxy)quinoline-4-carboxylic acid
CID 114491348
3-(3-ethoxy-2-hydroxypropoxy)quinoline-4-carboxylic acid
CID 79591696
3-[3-(difluoromethyl)phenoxy]quinoline-4-carboxylic acid
CID 162357719
3-chloroquinoline-4-carboxylic acid
CID 22158738
(2R)-N,N-dimethyl-2-(2-propan-2-ylphenoxy)propanamide
CID 94011896
3-[(5-methylfuran-2-yl)methoxy]quinoline-4-carboxylic acid
CID 79591735
3-bromoquinoline-4-carboxylic acid
CID 119083564
4-[methyl(propan-2-yl)amino]quinoline-3-carboxylic acid
CID 61339360

Frequently Asked Questions

What is the IUPAC name of 3-[1-(dimethylamino)-1-oxopropan-2-yl]oxyquinoline-4-carboxylic acid?
The IUPAC name of 3-[1-(dimethylamino)-1-oxopropan-2-yl]oxyquinoline-4-carboxylic acid (CID 79591700) is 3-[1-(dimethylamino)-1-oxopropan-2-yl]oxyquinoline-4-carboxylic acid.
What is the SMILES notation for 3-[1-(dimethylamino)-1-oxopropan-2-yl]oxyquinoline-4-carboxylic acid?
The canonical SMILES for 3-[1-(dimethylamino)-1-oxopropan-2-yl]oxyquinoline-4-carboxylic acid is CC(Oc1cnc2ccccc2c1C(=O)O)C(=O)N(C)C.
What is the InChIKey of 3-[1-(dimethylamino)-1-oxopropan-2-yl]oxyquinoline-4-carboxylic acid?
The InChIKey is KIIYGVFKUSJNBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4/c1-9(14(18)17(2)3)21-12-8-16-11-7-5-4-6-10(11)13(12)15(19)20/h4-9H,1-3H3,(H,19,20).
What are the key properties of 3-[1-(dimethylamino)-1-oxopropan-2-yl]oxyquinoline-4-carboxylic acid?
3-[1-(dimethylamino)-1-oxopropan-2-yl]oxyquinoline-4-carboxylic acid has a molecular weight of 288.30 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(dimethylamino)-1-oxopropan-2-yl]oxyquinoline-4-carboxylic acid is sourced from PubChem (CID 79591700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).