2-[1-benzyl-6-(4-fluorophenyl)-4,4-dimethyl-2,3-dihydroquinolin-7-yl]acetaldehyde

C26H26FNO — CID 87574648

IUPAC2-[1-benzyl-6-(4-fluorophenyl)-4,4-dimethyl-2,3-dihydroquinolin-7-yl]acetaldehyde
SMILESCC1(C)CCN(Cc2ccccc2)c2cc(CC=O)c(-c3ccc(F)cc3)cc21
InChIInChI=1S/C26H26FNO/c1-26(2)13-14-28(18-19-6-4-3-5-7-19)25-16-21(12-15-29)23(17-24(25)26)20-8-10-22(27)11-9-20/h3-11,15-17H,12-14,18H2,1-2H3
InChIKeyXUYLYRZLGCWEBF-UHFFFAOYSA-N
MW387.50 g/mol
LogP5.92
Rot. Bonds5

About 2-[1-benzyl-6-(4-fluorophenyl)-4,4-dimethyl-2,3-dihydroquinolin-7-yl]acetaldehyde

2-[1-benzyl-6-(4-fluorophenyl)-4,4-dimethyl-2,3-dihydroquinolin-7-yl]acetaldehyde (PubChem CID 87574648) has the molecular formula C26H26FNO and a molecular weight of 387.50 g/mol. Its IUPAC name is 2-[1-benzyl-6-(4-fluorophenyl)-4,4-dimethyl-2,3-dihydroquinolin-7-yl]acetaldehyde.

Molecular Properties

Compound Name2-[1-benzyl-6-(4-fluorophenyl)-4,4-dimethyl-2,3-dihydroquinolin-7-yl]acetaldehyde
PubChem CID87574648
Molecular FormulaC26H26FNO
Molecular Weight387.50 g/mol
Exact Mass387.20
IUPAC Name2-[1-benzyl-6-(4-fluorophenyl)-4,4-dimethyl-2,3-dihydroquinolin-7-yl]acetaldehyde
SMILESCC1(C)CCN(Cc2ccccc2)c2cc(CC=O)c(-c3ccc(F)cc3)cc21
InChIInChI=1S/C26H26FNO/c1-26(2)13-14-28(18-19-6-4-3-5-7-19)25-16-21(12-15-29)23(17-24(25)26)20-8-10-22(27)11-9-20/h3-11,15-17H,12-14,18H2,1-2H3
InChIKeyXUYLYRZLGCWEBF-UHFFFAOYSA-N
XLogP5.92
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.50
LogP ≤ 55.92
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-[1-benzyl-6-(4-fluorophenyl)-4,4-dimethyl-2,3-dihydroquinolin-7-yl]acetaldehyde?
The IUPAC name of 2-[1-benzyl-6-(4-fluorophenyl)-4,4-dimethyl-2,3-dihydroquinolin-7-yl]acetaldehyde (CID 87574648) is 2-[1-benzyl-6-(4-fluorophenyl)-4,4-dimethyl-2,3-dihydroquinolin-7-yl]acetaldehyde.
What is the SMILES notation for 2-[1-benzyl-6-(4-fluorophenyl)-4,4-dimethyl-2,3-dihydroquinolin-7-yl]acetaldehyde?
The canonical SMILES for 2-[1-benzyl-6-(4-fluorophenyl)-4,4-dimethyl-2,3-dihydroquinolin-7-yl]acetaldehyde is CC1(C)CCN(Cc2ccccc2)c2cc(CC=O)c(-c3ccc(F)cc3)cc21.
What is the InChIKey of 2-[1-benzyl-6-(4-fluorophenyl)-4,4-dimethyl-2,3-dihydroquinolin-7-yl]acetaldehyde?
The InChIKey is XUYLYRZLGCWEBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FNO/c1-26(2)13-14-28(18-19-6-4-3-5-7-19)25-16-21(12-15-29)23(17-24(25)26)20-8-10-22(27)11-9-20/h3-11,15-17H,12-14,18H2,1-2H3.
What are the key properties of 2-[1-benzyl-6-(4-fluorophenyl)-4,4-dimethyl-2,3-dihydroquinolin-7-yl]acetaldehyde?
2-[1-benzyl-6-(4-fluorophenyl)-4,4-dimethyl-2,3-dihydroquinolin-7-yl]acetaldehyde has a molecular weight of 387.50 g/mol, XLogP of 5.92, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-benzyl-6-(4-fluorophenyl)-4,4-dimethyl-2,3-dihydroquinolin-7-yl]acetaldehyde is sourced from PubChem (CID 87574648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).