6-bromo-4-morpholin-4-ylquinoline-3-carbaldehyde

C14H13BrN2O2 — CID 141453765

IUPAC6-bromo-4-morpholin-4-ylquinoline-3-carbaldehyde
SMILESO=Cc1cnc2ccc(Br)cc2c1N1CCOCC1
InChIInChI=1S/C14H13BrN2O2/c15-11-1-2-13-12(7-11)14(10(9-18)8-16-13)17-3-5-19-6-4-17/h1-2,7-9H,3-6H2
InChIKeyRZVLAORRDPYPMW-UHFFFAOYSA-N
MW321.17 g/mol
LogP2.65
Rot. Bonds2

About 6-bromo-4-morpholin-4-ylquinoline-3-carbaldehyde

6-bromo-4-morpholin-4-ylquinoline-3-carbaldehyde (PubChem CID 141453765) has the molecular formula C14H13BrN2O2 and a molecular weight of 321.17 g/mol. Its IUPAC name is 6-bromo-4-morpholin-4-ylquinoline-3-carbaldehyde.

Molecular Properties

Compound Name6-bromo-4-morpholin-4-ylquinoline-3-carbaldehyde
PubChem CID141453765
Molecular FormulaC14H13BrN2O2
Molecular Weight321.17 g/mol
Exact Mass320.02
IUPAC Name6-bromo-4-morpholin-4-ylquinoline-3-carbaldehyde
SMILESO=Cc1cnc2ccc(Br)cc2c1N1CCOCC1
InChIInChI=1S/C14H13BrN2O2/c15-11-1-2-13-12(7-11)14(10(9-18)8-16-13)17-3-5-19-6-4-17/h1-2,7-9H,3-6H2
InChIKeyRZVLAORRDPYPMW-UHFFFAOYSA-N
XLogP2.65
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.17
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-morpholin-4-ylquinoline-3-carbaldehyde?
The IUPAC name of 6-bromo-4-morpholin-4-ylquinoline-3-carbaldehyde (CID 141453765) is 6-bromo-4-morpholin-4-ylquinoline-3-carbaldehyde.
What is the SMILES notation for 6-bromo-4-morpholin-4-ylquinoline-3-carbaldehyde?
The canonical SMILES for 6-bromo-4-morpholin-4-ylquinoline-3-carbaldehyde is O=Cc1cnc2ccc(Br)cc2c1N1CCOCC1.
What is the InChIKey of 6-bromo-4-morpholin-4-ylquinoline-3-carbaldehyde?
The InChIKey is RZVLAORRDPYPMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O2/c15-11-1-2-13-12(7-11)14(10(9-18)8-16-13)17-3-5-19-6-4-17/h1-2,7-9H,3-6H2.
What are the key properties of 6-bromo-4-morpholin-4-ylquinoline-3-carbaldehyde?
6-bromo-4-morpholin-4-ylquinoline-3-carbaldehyde has a molecular weight of 321.17 g/mol, XLogP of 2.65, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-morpholin-4-ylquinoline-3-carbaldehyde is sourced from PubChem (CID 141453765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).