2-(6-bromo-3,4-dihydro-2H-quinolin-1-yl)propanal

C12H14BrNO — CID 174512252

IUPAC2-(6-bromo-3,4-dihydro-2H-quinolin-1-yl)propanal
SMILESCC(C=O)N1CCCc2cc(Br)ccc21
InChIInChI=1S/C12H14BrNO/c1-9(8-15)14-6-2-3-10-7-11(13)4-5-12(10)14/h4-5,7-9H,2-3,6H2,1H3
InChIKeyDPFQDUFOHFWCCS-UHFFFAOYSA-N
MW268.15 g/mol
LogP2.79
Rot. Bonds2

About 2-(6-bromo-3,4-dihydro-2H-quinolin-1-yl)propanal

2-(6-bromo-3,4-dihydro-2H-quinolin-1-yl)propanal (PubChem CID 174512252) has the molecular formula C12H14BrNO and a molecular weight of 268.15 g/mol. Its IUPAC name is 2-(6-bromo-3,4-dihydro-2H-quinolin-1-yl)propanal.

Molecular Properties

Compound Name2-(6-bromo-3,4-dihydro-2H-quinolin-1-yl)propanal
PubChem CID174512252
Molecular FormulaC12H14BrNO
Molecular Weight268.15 g/mol
Exact Mass267.03
IUPAC Name2-(6-bromo-3,4-dihydro-2H-quinolin-1-yl)propanal
SMILESCC(C=O)N1CCCc2cc(Br)ccc21
InChIInChI=1S/C12H14BrNO/c1-9(8-15)14-6-2-3-10-7-11(13)4-5-12(10)14/h4-5,7-9H,2-3,6H2,1H3
InChIKeyDPFQDUFOHFWCCS-UHFFFAOYSA-N
XLogP2.79
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.15
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-3,4-dihydro-2H-quinolin-1-yl)propanal?
The IUPAC name of 2-(6-bromo-3,4-dihydro-2H-quinolin-1-yl)propanal (CID 174512252) is 2-(6-bromo-3,4-dihydro-2H-quinolin-1-yl)propanal.
What is the SMILES notation for 2-(6-bromo-3,4-dihydro-2H-quinolin-1-yl)propanal?
The canonical SMILES for 2-(6-bromo-3,4-dihydro-2H-quinolin-1-yl)propanal is CC(C=O)N1CCCc2cc(Br)ccc21.
What is the InChIKey of 2-(6-bromo-3,4-dihydro-2H-quinolin-1-yl)propanal?
The InChIKey is DPFQDUFOHFWCCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrNO/c1-9(8-15)14-6-2-3-10-7-11(13)4-5-12(10)14/h4-5,7-9H,2-3,6H2,1H3.
What are the key properties of 2-(6-bromo-3,4-dihydro-2H-quinolin-1-yl)propanal?
2-(6-bromo-3,4-dihydro-2H-quinolin-1-yl)propanal has a molecular weight of 268.15 g/mol, XLogP of 2.79, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromo-3,4-dihydro-2H-quinolin-1-yl)propanal is sourced from PubChem (CID 174512252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).