4-(morpholin-4-ylamino)quinoline-2-carboxylic acid

C14H15N3O3 — CID 83026481

IUPAC4-(morpholin-4-ylamino)quinoline-2-carboxylic acid
SMILESO=C(O)c1cc(NN2CCOCC2)c2ccccc2n1
InChIInChI=1S/C14H15N3O3/c18-14(19)13-9-12(16-17-5-7-20-8-6-17)10-3-1-2-4-11(10)15-13/h1-4,9H,5-8H2,(H,15,16)(H,18,19)
InChIKeyZGUJHGARZXOWDI-UHFFFAOYSA-N
MW273.29 g/mol
LogP1.59
Rot. Bonds3

About 4-(morpholin-4-ylamino)quinoline-2-carboxylic acid

4-(morpholin-4-ylamino)quinoline-2-carboxylic acid (PubChem CID 83026481) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is 4-(morpholin-4-ylamino)quinoline-2-carboxylic acid.

Molecular Properties

Compound Name4-(morpholin-4-ylamino)quinoline-2-carboxylic acid
PubChem CID83026481
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name4-(morpholin-4-ylamino)quinoline-2-carboxylic acid
SMILESO=C(O)c1cc(NN2CCOCC2)c2ccccc2n1
InChIInChI=1S/C14H15N3O3/c18-14(19)13-9-12(16-17-5-7-20-8-6-17)10-3-1-2-4-11(10)15-13/h1-4,9H,5-8H2,(H,15,16)(H,18,19)
InChIKeyZGUJHGARZXOWDI-UHFFFAOYSA-N
XLogP1.59
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(morpholin-4-ylamino)quinoline-2-carboxylic acid?
The IUPAC name of 4-(morpholin-4-ylamino)quinoline-2-carboxylic acid (CID 83026481) is 4-(morpholin-4-ylamino)quinoline-2-carboxylic acid.
What is the SMILES notation for 4-(morpholin-4-ylamino)quinoline-2-carboxylic acid?
The canonical SMILES for 4-(morpholin-4-ylamino)quinoline-2-carboxylic acid is O=C(O)c1cc(NN2CCOCC2)c2ccccc2n1.
What is the InChIKey of 4-(morpholin-4-ylamino)quinoline-2-carboxylic acid?
The InChIKey is ZGUJHGARZXOWDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c18-14(19)13-9-12(16-17-5-7-20-8-6-17)10-3-1-2-4-11(10)15-13/h1-4,9H,5-8H2,(H,15,16)(H,18,19).
What are the key properties of 4-(morpholin-4-ylamino)quinoline-2-carboxylic acid?
4-(morpholin-4-ylamino)quinoline-2-carboxylic acid has a molecular weight of 273.29 g/mol, XLogP of 1.59, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(morpholin-4-ylamino)quinoline-2-carboxylic acid is sourced from PubChem (CID 83026481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).