2-(2,5-dimethylmorpholin-4-yl)quinoline-3-carboxylic acid

C16H18N2O3 — CID 43544765

IUPAC2-(2,5-dimethylmorpholin-4-yl)quinoline-3-carboxylic acid
SMILESCC1CN(c2nc3ccccc3cc2C(=O)O)C(C)CO1
InChIInChI=1S/C16H18N2O3/c1-10-9-21-11(2)8-18(10)15-13(16(19)20)7-12-5-3-4-6-14(12)17-15/h3-7,10-11H,8-9H2,1-2H3,(H,19,20)
InChIKeyZJYRGCHVFXJCBE-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.55
Rot. Bonds2

About 2-(2,5-dimethylmorpholin-4-yl)quinoline-3-carboxylic acid

2-(2,5-dimethylmorpholin-4-yl)quinoline-3-carboxylic acid (PubChem CID 43544765) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 2-(2,5-dimethylmorpholin-4-yl)quinoline-3-carboxylic acid.

Molecular Properties

Compound Name2-(2,5-dimethylmorpholin-4-yl)quinoline-3-carboxylic acid
PubChem CID43544765
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name2-(2,5-dimethylmorpholin-4-yl)quinoline-3-carboxylic acid
SMILESCC1CN(c2nc3ccccc3cc2C(=O)O)C(C)CO1
InChIInChI=1S/C16H18N2O3/c1-10-9-21-11(2)8-18(10)15-13(16(19)20)7-12-5-3-4-6-14(12)17-15/h3-7,10-11H,8-9H2,1-2H3,(H,19,20)
InChIKeyZJYRGCHVFXJCBE-UHFFFAOYSA-N
XLogP2.55
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylmorpholin-4-yl)quinoline-3-carboxylic acid?
The IUPAC name of 2-(2,5-dimethylmorpholin-4-yl)quinoline-3-carboxylic acid (CID 43544765) is 2-(2,5-dimethylmorpholin-4-yl)quinoline-3-carboxylic acid.
What is the SMILES notation for 2-(2,5-dimethylmorpholin-4-yl)quinoline-3-carboxylic acid?
The canonical SMILES for 2-(2,5-dimethylmorpholin-4-yl)quinoline-3-carboxylic acid is CC1CN(c2nc3ccccc3cc2C(=O)O)C(C)CO1.
What is the InChIKey of 2-(2,5-dimethylmorpholin-4-yl)quinoline-3-carboxylic acid?
The InChIKey is ZJYRGCHVFXJCBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-10-9-21-11(2)8-18(10)15-13(16(19)20)7-12-5-3-4-6-14(12)17-15/h3-7,10-11H,8-9H2,1-2H3,(H,19,20).
What are the key properties of 2-(2,5-dimethylmorpholin-4-yl)quinoline-3-carboxylic acid?
2-(2,5-dimethylmorpholin-4-yl)quinoline-3-carboxylic acid has a molecular weight of 286.33 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylmorpholin-4-yl)quinoline-3-carboxylic acid is sourced from PubChem (CID 43544765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).