4-methoxy-6-morpholin-4-ylquinoline-2-carboxylic acid

C15H16N2O4 — CID 102942059

IUPAC4-methoxy-6-morpholin-4-ylquinoline-2-carboxylic acid
SMILESCOc1cc(C(=O)O)nc2ccc(N3CCOCC3)cc12
InChIInChI=1S/C15H16N2O4/c1-20-14-9-13(15(18)19)16-12-3-2-10(8-11(12)14)17-4-6-21-7-5-17/h2-3,8-9H,4-7H2,1H3,(H,18,19)
InChIKeyAALGMDBYPBNQAU-UHFFFAOYSA-N
MW288.30 g/mol
LogP1.78
Rot. Bonds3

About 4-methoxy-6-morpholin-4-ylquinoline-2-carboxylic acid

4-methoxy-6-morpholin-4-ylquinoline-2-carboxylic acid (PubChem CID 102942059) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is 4-methoxy-6-morpholin-4-ylquinoline-2-carboxylic acid.

Molecular Properties

Compound Name4-methoxy-6-morpholin-4-ylquinoline-2-carboxylic acid
PubChem CID102942059
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name4-methoxy-6-morpholin-4-ylquinoline-2-carboxylic acid
SMILESCOc1cc(C(=O)O)nc2ccc(N3CCOCC3)cc12
InChIInChI=1S/C15H16N2O4/c1-20-14-9-13(15(18)19)16-12-3-2-10(8-11(12)14)17-4-6-21-7-5-17/h2-3,8-9H,4-7H2,1H3,(H,18,19)
InChIKeyAALGMDBYPBNQAU-UHFFFAOYSA-N
XLogP1.78
TPSA71.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-morpholin-4-ylquinoline-2-carboxylic acid?
The IUPAC name of 4-methoxy-6-morpholin-4-ylquinoline-2-carboxylic acid (CID 102942059) is 4-methoxy-6-morpholin-4-ylquinoline-2-carboxylic acid.
What is the SMILES notation for 4-methoxy-6-morpholin-4-ylquinoline-2-carboxylic acid?
The canonical SMILES for 4-methoxy-6-morpholin-4-ylquinoline-2-carboxylic acid is COc1cc(C(=O)O)nc2ccc(N3CCOCC3)cc12.
What is the InChIKey of 4-methoxy-6-morpholin-4-ylquinoline-2-carboxylic acid?
The InChIKey is AALGMDBYPBNQAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4/c1-20-14-9-13(15(18)19)16-12-3-2-10(8-11(12)14)17-4-6-21-7-5-17/h2-3,8-9H,4-7H2,1H3,(H,18,19).
What are the key properties of 4-methoxy-6-morpholin-4-ylquinoline-2-carboxylic acid?
4-methoxy-6-morpholin-4-ylquinoline-2-carboxylic acid has a molecular weight of 288.30 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6-morpholin-4-ylquinoline-2-carboxylic acid is sourced from PubChem (CID 102942059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).