7-fluoro-1-methyl-3,4-dihydro-2H-quinoline-2-carbaldehyde

C11H12FNO — CID 174848488

IUPAC7-fluoro-1-methyl-3,4-dihydro-2H-quinoline-2-carbaldehyde
SMILESCN1c2cc(F)ccc2CCC1C=O
InChIInChI=1S/C11H12FNO/c1-13-10(7-14)5-3-8-2-4-9(12)6-11(8)13/h2,4,6-7,10H,3,5H2,1H3
InChIKeyYSHUNXWLJFTABU-UHFFFAOYSA-N
MW193.22 g/mol
LogP1.78
Rot. Bonds1

About 7-fluoro-1-methyl-3,4-dihydro-2H-quinoline-2-carbaldehyde

7-fluoro-1-methyl-3,4-dihydro-2H-quinoline-2-carbaldehyde (PubChem CID 174848488) has the molecular formula C11H12FNO and a molecular weight of 193.22 g/mol. Its IUPAC name is 7-fluoro-1-methyl-3,4-dihydro-2H-quinoline-2-carbaldehyde.

Molecular Properties

Compound Name7-fluoro-1-methyl-3,4-dihydro-2H-quinoline-2-carbaldehyde
PubChem CID174848488
Molecular FormulaC11H12FNO
Molecular Weight193.22 g/mol
Exact Mass193.09
IUPAC Name7-fluoro-1-methyl-3,4-dihydro-2H-quinoline-2-carbaldehyde
SMILESCN1c2cc(F)ccc2CCC1C=O
InChIInChI=1S/C11H12FNO/c1-13-10(7-14)5-3-8-2-4-9(12)6-11(8)13/h2,4,6-7,10H,3,5H2,1H3
InChIKeyYSHUNXWLJFTABU-UHFFFAOYSA-N
XLogP1.78
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.22
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 7-fluoro-1-methyl-3,4-dihydro-2H-quinoline-2-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-1-methyl-3,4-dihydro-2H-quinoline-2-carbaldehyde?
The IUPAC name of 7-fluoro-1-methyl-3,4-dihydro-2H-quinoline-2-carbaldehyde (CID 174848488) is 7-fluoro-1-methyl-3,4-dihydro-2H-quinoline-2-carbaldehyde.
What is the SMILES notation for 7-fluoro-1-methyl-3,4-dihydro-2H-quinoline-2-carbaldehyde?
The canonical SMILES for 7-fluoro-1-methyl-3,4-dihydro-2H-quinoline-2-carbaldehyde is CN1c2cc(F)ccc2CCC1C=O.
What is the InChIKey of 7-fluoro-1-methyl-3,4-dihydro-2H-quinoline-2-carbaldehyde?
The InChIKey is YSHUNXWLJFTABU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO/c1-13-10(7-14)5-3-8-2-4-9(12)6-11(8)13/h2,4,6-7,10H,3,5H2,1H3.
What are the key properties of 7-fluoro-1-methyl-3,4-dihydro-2H-quinoline-2-carbaldehyde?
7-fluoro-1-methyl-3,4-dihydro-2H-quinoline-2-carbaldehyde has a molecular weight of 193.22 g/mol, XLogP of 1.78, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-1-methyl-3,4-dihydro-2H-quinoline-2-carbaldehyde is sourced from PubChem (CID 174848488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).