6-bromo-4-(morpholin-4-ylamino)quinoline-3-carboxylic acid

C14H14BrN3O3 — CID 166645341

IUPAC6-bromo-4-(morpholin-4-ylamino)quinoline-3-carboxylic acid
SMILESO=C(O)c1cnc2ccc(Br)cc2c1NN1CCOCC1
InChIInChI=1S/C14H14BrN3O3/c15-9-1-2-12-10(7-9)13(11(8-16-12)14(19)20)17-18-3-5-21-6-4-18/h1-2,7-8H,3-6H2,(H,16,17)(H,19,20)
InChIKeyMVRYWZNVBYVNMV-UHFFFAOYSA-N
MW352.19 g/mol
LogP2.35
Rot. Bonds3

About 6-bromo-4-(morpholin-4-ylamino)quinoline-3-carboxylic acid

6-bromo-4-(morpholin-4-ylamino)quinoline-3-carboxylic acid (PubChem CID 166645341) has the molecular formula C14H14BrN3O3 and a molecular weight of 352.19 g/mol. Its IUPAC name is 6-bromo-4-(morpholin-4-ylamino)quinoline-3-carboxylic acid.

Molecular Properties

Compound Name6-bromo-4-(morpholin-4-ylamino)quinoline-3-carboxylic acid
PubChem CID166645341
Molecular FormulaC14H14BrN3O3
Molecular Weight352.19 g/mol
Exact Mass351.02
IUPAC Name6-bromo-4-(morpholin-4-ylamino)quinoline-3-carboxylic acid
SMILESO=C(O)c1cnc2ccc(Br)cc2c1NN1CCOCC1
InChIInChI=1S/C14H14BrN3O3/c15-9-1-2-12-10(7-9)13(11(8-16-12)14(19)20)17-18-3-5-21-6-4-18/h1-2,7-8H,3-6H2,(H,16,17)(H,19,20)
InChIKeyMVRYWZNVBYVNMV-UHFFFAOYSA-N
XLogP2.35
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.19
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-(morpholin-4-ylamino)quinoline-3-carboxylic acid?
The IUPAC name of 6-bromo-4-(morpholin-4-ylamino)quinoline-3-carboxylic acid (CID 166645341) is 6-bromo-4-(morpholin-4-ylamino)quinoline-3-carboxylic acid.
What is the SMILES notation for 6-bromo-4-(morpholin-4-ylamino)quinoline-3-carboxylic acid?
The canonical SMILES for 6-bromo-4-(morpholin-4-ylamino)quinoline-3-carboxylic acid is O=C(O)c1cnc2ccc(Br)cc2c1NN1CCOCC1.
What is the InChIKey of 6-bromo-4-(morpholin-4-ylamino)quinoline-3-carboxylic acid?
The InChIKey is MVRYWZNVBYVNMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3O3/c15-9-1-2-12-10(7-9)13(11(8-16-12)14(19)20)17-18-3-5-21-6-4-18/h1-2,7-8H,3-6H2,(H,16,17)(H,19,20).
What are the key properties of 6-bromo-4-(morpholin-4-ylamino)quinoline-3-carboxylic acid?
6-bromo-4-(morpholin-4-ylamino)quinoline-3-carboxylic acid has a molecular weight of 352.19 g/mol, XLogP of 2.35, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-(morpholin-4-ylamino)quinoline-3-carboxylic acid is sourced from PubChem (CID 166645341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).