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

C16H14BrNO — CID 114060001

IUPAC2-bromo-4-(3,4-dihydro-2H-quinolin-1-yl)benzaldehyde
SMILESO=Cc1ccc(N2CCCc3ccccc32)cc1Br
InChIInChI=1S/C16H14BrNO/c17-15-10-14(8-7-13(15)11-19)18-9-3-5-12-4-1-2-6-16(12)18/h1-2,4,6-8,10-11H,3,5,9H2
InChIKeyOWIYIOHCJDMAIW-UHFFFAOYSA-N
MW316.20 g/mol
LogP4.35
Rot. Bonds2

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

2-bromo-4-(3,4-dihydro-2H-quinolin-1-yl)benzaldehyde (PubChem CID 114060001) has the molecular formula C16H14BrNO and a molecular weight of 316.20 g/mol. Its IUPAC name is 2-bromo-4-(3,4-dihydro-2H-quinolin-1-yl)benzaldehyde.

Molecular Properties

Compound Name2-bromo-4-(3,4-dihydro-2H-quinolin-1-yl)benzaldehyde
PubChem CID114060001
Molecular FormulaC16H14BrNO
Molecular Weight316.20 g/mol
Exact Mass315.03
IUPAC Name2-bromo-4-(3,4-dihydro-2H-quinolin-1-yl)benzaldehyde
SMILESO=Cc1ccc(N2CCCc3ccccc32)cc1Br
InChIInChI=1S/C16H14BrNO/c17-15-10-14(8-7-13(15)11-19)18-9-3-5-12-4-1-2-6-16(12)18/h1-2,4,6-8,10-11H,3,5,9H2
InChIKeyOWIYIOHCJDMAIW-UHFFFAOYSA-N
XLogP4.35
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.20
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4-(2,3-dihydroindol-1-yl)benzaldehyde
CID 89323258
ethane;1-phenyl-3,4-dihydro-2H-quinoline
CID 145126037
4-(3,4-dihydro-2H-quinolin-1-yl)-2-methylbenzoic acid
CID 62136292
2-(3,4-dihydro-2H-quinolin-1-yl)pyridine-4-carbaldehyde
CID 115042593
N-[5-(2,3-dihydroindol-1-yl)-2-formylphenyl]benzamide
CID 89335733
2-[3-(3,4-dihydro-2H-quinolin-1-yl)phenyl]quinazoline
CID 174697832
1-[4-(chloromethyl)phenyl]-3,4-dihydro-2H-quinoline
CID 28946417
[4-(3,4-dihydro-2H-quinolin-1-yl)-2-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109203703
1-(3-ethylphenyl)-3,4-dihydro-2H-quinoline
CID 67553271
[4-(3,4-dihydro-2H-quinolin-1-yl)-2-pyridinyl]-piperidin-1-ylmethanone
CID 109204447
2-(3,4-dihydro-2H-quinolin-1-yl)-1,3-benzoxazol-6-amine
CID 79881637
1-[4-(3,4-dihydro-2H-quinolin-1-yl)-2-methylphenyl]-N-methylmethanamine
CID 62134837

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-(3,4-dihydro-2H-quinolin-1-yl)benzaldehyde?
The IUPAC name of 2-bromo-4-(3,4-dihydro-2H-quinolin-1-yl)benzaldehyde (CID 114060001) is 2-bromo-4-(3,4-dihydro-2H-quinolin-1-yl)benzaldehyde.
What is the SMILES notation for 2-bromo-4-(3,4-dihydro-2H-quinolin-1-yl)benzaldehyde?
The canonical SMILES for 2-bromo-4-(3,4-dihydro-2H-quinolin-1-yl)benzaldehyde is O=Cc1ccc(N2CCCc3ccccc32)cc1Br.
What is the InChIKey of 2-bromo-4-(3,4-dihydro-2H-quinolin-1-yl)benzaldehyde?
The InChIKey is OWIYIOHCJDMAIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrNO/c17-15-10-14(8-7-13(15)11-19)18-9-3-5-12-4-1-2-6-16(12)18/h1-2,4,6-8,10-11H,3,5,9H2.
What are the key properties of 2-bromo-4-(3,4-dihydro-2H-quinolin-1-yl)benzaldehyde?
2-bromo-4-(3,4-dihydro-2H-quinolin-1-yl)benzaldehyde has a molecular weight of 316.20 g/mol, XLogP of 4.35, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-(3,4-dihydro-2H-quinolin-1-yl)benzaldehyde is sourced from PubChem (CID 114060001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).