8-fluoro-3-[3-(1-propan-2-ylimidazol-2-yl)piperidine-1-carbonyl]-1H-quinolin-4-one

C21H23FN4O2 — CID 72845717

IUPAC8-fluoro-3-[3-(1-propan-2-ylimidazol-2-yl)piperidine-1-carbonyl]-1H-quinolin-4-one
SMILESCC(C)n1ccnc1C1CCCN(C(=O)c2c[nH]c3c(F)cccc3c2=O)C1
InChIInChI=1S/C21H23FN4O2/c1-13(2)26-10-8-23-20(26)14-5-4-9-25(12-14)21(28)16-11-24-18-15(19(16)27)6-3-7-17(18)22/h3,6-8,10-11,13-14H,4-5,9,12H2,1-2H3,(H,24,27)
InChIKeyPYEFRYBRMHMSID-UHFFFAOYSA-N
MW382.44 g/mol
LogP3.46
Rot. Bonds3

About 8-fluoro-3-[3-(1-propan-2-ylimidazol-2-yl)piperidine-1-carbonyl]-1H-quinolin-4-one

8-fluoro-3-[3-(1-propan-2-ylimidazol-2-yl)piperidine-1-carbonyl]-1H-quinolin-4-one (PubChem CID 72845717) has the molecular formula C21H23FN4O2 and a molecular weight of 382.44 g/mol. Its IUPAC name is 8-fluoro-3-[3-(1-propan-2-ylimidazol-2-yl)piperidine-1-carbonyl]-1H-quinolin-4-one.

Molecular Properties

Compound Name8-fluoro-3-[3-(1-propan-2-ylimidazol-2-yl)piperidine-1-carbonyl]-1H-quinolin-4-one
PubChem CID72845717
Molecular FormulaC21H23FN4O2
Molecular Weight382.44 g/mol
Exact Mass382.18
IUPAC Name8-fluoro-3-[3-(1-propan-2-ylimidazol-2-yl)piperidine-1-carbonyl]-1H-quinolin-4-one
SMILESCC(C)n1ccnc1C1CCCN(C(=O)c2c[nH]c3c(F)cccc3c2=O)C1
InChIInChI=1S/C21H23FN4O2/c1-13(2)26-10-8-23-20(26)14-5-4-9-25(12-14)21(28)16-11-24-18-15(19(16)27)6-3-7-17(18)22/h3,6-8,10-11,13-14H,4-5,9,12H2,1-2H3,(H,24,27)
InChIKeyPYEFRYBRMHMSID-UHFFFAOYSA-N
XLogP3.46
TPSA70.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.44
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 8-fluoro-3-[3-(1-propan-2-ylimidazol-2-yl)piperidine-1-carbonyl]-1H-quinolin-4-one with MolForge

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Launch Full Analysis

Related Compounds

5-[(3R)-3-(1-propan-2-ylimidazol-2-yl)piperidine-1-carbonyl]-1H-pyrazin-2-one
CID 97281034
(2-hydroxy-3-methylphenyl)-[(3S)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methanone
CID 97272457
(2-chloro-3-methylphenyl)-[(3S)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methanone
CID 97198650
2-[3-(1-propan-2-ylimidazol-2-yl)piperidine-1-carbonyl]-1H-quinolin-4-one
CID 72898151
(4-fluoro-3-methylphenyl)-[3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methanone
CID 72881750
5-acetyl-6-methyl-3-[3-(1-propan-2-ylimidazol-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 72897928
1-methyl-5-[(3S)-3-(1-propan-2-ylimidazol-2-yl)piperidine-1-carbonyl]pyrimidine-2,4-dione
CID 97282923
(3-fluoro-5-methylimidazo[1,2-a]pyridin-2-yl)-[(3S)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methanone
CID 97199326
2-methyl-6-[(3R)-3-(1-propan-2-ylimidazol-2-yl)piperidine-1-carbonyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 98301611
6-fluoro-3-[(3R)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidine-1-carbonyl]-1H-quinolin-4-one
CID 97276651
6-ethyl-1,5-dimethyl-3-[3-(1-propan-2-ylimidazol-2-yl)piperidine-1-carbonyl]pyridin-2-one
CID 77096988
(5-fluoro-1-methylindol-2-yl)-[(3R)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methanone
CID 97196379

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-3-[3-(1-propan-2-ylimidazol-2-yl)piperidine-1-carbonyl]-1H-quinolin-4-one?
The IUPAC name of 8-fluoro-3-[3-(1-propan-2-ylimidazol-2-yl)piperidine-1-carbonyl]-1H-quinolin-4-one (CID 72845717) is 8-fluoro-3-[3-(1-propan-2-ylimidazol-2-yl)piperidine-1-carbonyl]-1H-quinolin-4-one.
What is the SMILES notation for 8-fluoro-3-[3-(1-propan-2-ylimidazol-2-yl)piperidine-1-carbonyl]-1H-quinolin-4-one?
The canonical SMILES for 8-fluoro-3-[3-(1-propan-2-ylimidazol-2-yl)piperidine-1-carbonyl]-1H-quinolin-4-one is CC(C)n1ccnc1C1CCCN(C(=O)c2c[nH]c3c(F)cccc3c2=O)C1.
What is the InChIKey of 8-fluoro-3-[3-(1-propan-2-ylimidazol-2-yl)piperidine-1-carbonyl]-1H-quinolin-4-one?
The InChIKey is PYEFRYBRMHMSID-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4O2/c1-13(2)26-10-8-23-20(26)14-5-4-9-25(12-14)21(28)16-11-24-18-15(19(16)27)6-3-7-17(18)22/h3,6-8,10-11,13-14H,4-5,9,12H2,1-2H3,(H,24,27).
What are the key properties of 8-fluoro-3-[3-(1-propan-2-ylimidazol-2-yl)piperidine-1-carbonyl]-1H-quinolin-4-one?
8-fluoro-3-[3-(1-propan-2-ylimidazol-2-yl)piperidine-1-carbonyl]-1H-quinolin-4-one has a molecular weight of 382.44 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-3-[3-(1-propan-2-ylimidazol-2-yl)piperidine-1-carbonyl]-1H-quinolin-4-one is sourced from PubChem (CID 72845717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).