4-(8-fluoro-2-oxo-1H-quinolin-3-yl)piperidine-1-carbaldehyde

C15H15FN2O2 — CID 143577325

IUPAC4-(8-fluoro-2-oxo-1H-quinolin-3-yl)piperidine-1-carbaldehyde
SMILESO=CN1CCC(c2cc3cccc(F)c3[nH]c2=O)CC1
InChIInChI=1S/C15H15FN2O2/c16-13-3-1-2-11-8-12(15(20)17-14(11)13)10-4-6-18(9-19)7-5-10/h1-3,8-10H,4-7H2,(H,17,20)
InChIKeyBTTJTFUSAGPQKA-UHFFFAOYSA-N
MW274.29 g/mol
LogP2.00
Rot. Bonds2

About 4-(8-fluoro-2-oxo-1H-quinolin-3-yl)piperidine-1-carbaldehyde

4-(8-fluoro-2-oxo-1H-quinolin-3-yl)piperidine-1-carbaldehyde (PubChem CID 143577325) has the molecular formula C15H15FN2O2 and a molecular weight of 274.29 g/mol. Its IUPAC name is 4-(8-fluoro-2-oxo-1H-quinolin-3-yl)piperidine-1-carbaldehyde.

Molecular Properties

Compound Name4-(8-fluoro-2-oxo-1H-quinolin-3-yl)piperidine-1-carbaldehyde
PubChem CID143577325
Molecular FormulaC15H15FN2O2
Molecular Weight274.29 g/mol
Exact Mass274.11
IUPAC Name4-(8-fluoro-2-oxo-1H-quinolin-3-yl)piperidine-1-carbaldehyde
SMILESO=CN1CCC(c2cc3cccc(F)c3[nH]c2=O)CC1
InChIInChI=1S/C15H15FN2O2/c16-13-3-1-2-11-8-12(15(20)17-14(11)13)10-4-6-18(9-19)7-5-10/h1-3,8-10H,4-7H2,(H,17,20)
InChIKeyBTTJTFUSAGPQKA-UHFFFAOYSA-N
XLogP2.00
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(2-fluorophenyl)piperidine-1-carbaldehyde
CID 87956080
3-(1-aminopiperidin-4-yl)-1H-quinolin-2-one
CID 71197765
4-(5-oxo-3,4-dihydro-2H-thieno[3,2-b]pyridin-6-yl)piperidine-1-carbaldehyde
CID 89223498
3-(1-cyclooctylpiperidin-4-yl)-1H-quinolin-2-one
CID 91511862
[(1S)-1-methoxy-1-[4-methyl-2-(2-trimethylsilylethoxymethyl)indazol-6-yl]-3-oxopropan-2-yl] 4-(8-fluoro-2-oxo-1H-quinolin-3-yl)piperidine-1-carboxylate
CID 87873263
3-[1-(3,3-diphenylpropyl)piperidin-4-yl]-1H-quinolin-2-one
CID 91475456
(7S)-4-chloro-7-[2-[4-(8-fluoro-2-oxo-1H-quinolin-3-yl)piperidin-1-yl]-2-oxoethyl]-9-(pyridin-4-ylmethyl)-6,7,9,10-tetrahydro-3H-cyclohepta[e]indazol-8-one
CID 58636583
3-cyclopropyl-8-fluoro-7-(hydroxymethyl)-1H-quinolin-2-one
CID 169110538
(12S)-7-bromo-14-(2,2-dimethylpropyl)-12-[2-[4-(8-fluoro-2-oxo-1H-quinolin-3-yl)piperidin-1-yl]-2-oxoethyl]-4,5,14-triazatricyclo[7.6.0.02,6]pentadeca-1,3,6,8-tetraen-13-one
CID 143228091
3-cyclohept-4-en-1-yl-1H-quinolin-2-one
CID 71197719
4-[5-chloro-2-(trifluoromethyl)phenyl]piperidine-1-carbaldehyde
CID 118484630
bis[4-(2-fluorophenyl)piperidin-1-yl]methanone
CID 174617068

Frequently Asked Questions

What is the IUPAC name of 4-(8-fluoro-2-oxo-1H-quinolin-3-yl)piperidine-1-carbaldehyde?
The IUPAC name of 4-(8-fluoro-2-oxo-1H-quinolin-3-yl)piperidine-1-carbaldehyde (CID 143577325) is 4-(8-fluoro-2-oxo-1H-quinolin-3-yl)piperidine-1-carbaldehyde.
What is the SMILES notation for 4-(8-fluoro-2-oxo-1H-quinolin-3-yl)piperidine-1-carbaldehyde?
The canonical SMILES for 4-(8-fluoro-2-oxo-1H-quinolin-3-yl)piperidine-1-carbaldehyde is O=CN1CCC(c2cc3cccc(F)c3[nH]c2=O)CC1.
What is the InChIKey of 4-(8-fluoro-2-oxo-1H-quinolin-3-yl)piperidine-1-carbaldehyde?
The InChIKey is BTTJTFUSAGPQKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O2/c16-13-3-1-2-11-8-12(15(20)17-14(11)13)10-4-6-18(9-19)7-5-10/h1-3,8-10H,4-7H2,(H,17,20).
What are the key properties of 4-(8-fluoro-2-oxo-1H-quinolin-3-yl)piperidine-1-carbaldehyde?
4-(8-fluoro-2-oxo-1H-quinolin-3-yl)piperidine-1-carbaldehyde has a molecular weight of 274.29 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(8-fluoro-2-oxo-1H-quinolin-3-yl)piperidine-1-carbaldehyde is sourced from PubChem (CID 143577325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).