1-[2-(dimethylamino)ethyl]-8-fluoro-3,4-dihydro-2H-quinoline-2-carbaldehyde

C14H19FN2O — CID 174607457

IUPAC1-[2-(dimethylamino)ethyl]-8-fluoro-3,4-dihydro-2H-quinoline-2-carbaldehyde
SMILESCN(C)CCN1c2c(F)cccc2CCC1C=O
InChIInChI=1S/C14H19FN2O/c1-16(2)8-9-17-12(10-18)7-6-11-4-3-5-13(15)14(11)17/h3-5,10,12H,6-9H2,1-2H3
InChIKeyQTKRVQBHKVDNCY-UHFFFAOYSA-N
MW250.32 g/mol
LogP1.71
Rot. Bonds4

About 1-[2-(dimethylamino)ethyl]-8-fluoro-3,4-dihydro-2H-quinoline-2-carbaldehyde

1-[2-(dimethylamino)ethyl]-8-fluoro-3,4-dihydro-2H-quinoline-2-carbaldehyde (PubChem CID 174607457) has the molecular formula C14H19FN2O and a molecular weight of 250.32 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-8-fluoro-3,4-dihydro-2H-quinoline-2-carbaldehyde.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-8-fluoro-3,4-dihydro-2H-quinoline-2-carbaldehyde
PubChem CID174607457
Molecular FormulaC14H19FN2O
Molecular Weight250.32 g/mol
Exact Mass250.15
IUPAC Name1-[2-(dimethylamino)ethyl]-8-fluoro-3,4-dihydro-2H-quinoline-2-carbaldehyde
SMILESCN(C)CCN1c2c(F)cccc2CCC1C=O
InChIInChI=1S/C14H19FN2O/c1-16(2)8-9-17-12(10-18)7-6-11-4-3-5-13(15)14(11)17/h3-5,10,12H,6-9H2,1-2H3
InChIKeyQTKRVQBHKVDNCY-UHFFFAOYSA-N
XLogP1.71
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-8-fluoro-3,4-dihydro-2H-quinoline-2-carbaldehyde?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-8-fluoro-3,4-dihydro-2H-quinoline-2-carbaldehyde (CID 174607457) is 1-[2-(dimethylamino)ethyl]-8-fluoro-3,4-dihydro-2H-quinoline-2-carbaldehyde.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-8-fluoro-3,4-dihydro-2H-quinoline-2-carbaldehyde?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-8-fluoro-3,4-dihydro-2H-quinoline-2-carbaldehyde is CN(C)CCN1c2c(F)cccc2CCC1C=O.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-8-fluoro-3,4-dihydro-2H-quinoline-2-carbaldehyde?
The InChIKey is QTKRVQBHKVDNCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O/c1-16(2)8-9-17-12(10-18)7-6-11-4-3-5-13(15)14(11)17/h3-5,10,12H,6-9H2,1-2H3.
What are the key properties of 1-[2-(dimethylamino)ethyl]-8-fluoro-3,4-dihydro-2H-quinoline-2-carbaldehyde?
1-[2-(dimethylamino)ethyl]-8-fluoro-3,4-dihydro-2H-quinoline-2-carbaldehyde has a molecular weight of 250.32 g/mol, XLogP of 1.71, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]-8-fluoro-3,4-dihydro-2H-quinoline-2-carbaldehyde is sourced from PubChem (CID 174607457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).