(4-fluorophenyl)-[4-(quinoline-2-carbonyl)piperazin-1-yl]methanone

C21H18FN3O2 — CID 38388017

IUPAC(4-fluorophenyl)-[4-(quinoline-2-carbonyl)piperazin-1-yl]methanone
SMILESO=C(c1ccc(F)cc1)N1CCN(C(=O)c2ccc3ccccc3n2)CC1
InChIInChI=1S/C21H18FN3O2/c22-17-8-5-16(6-9-17)20(26)24-11-13-25(14-12-24)21(27)19-10-7-15-3-1-2-4-18(15)23-19/h1-10H,11-14H2
InChIKeyIJNKVWIWAQBDRP-UHFFFAOYSA-N
MW363.39 g/mol
LogP2.97
Rot. Bonds2

About (4-fluorophenyl)-[4-(quinoline-2-carbonyl)piperazin-1-yl]methanone

(4-fluorophenyl)-[4-(quinoline-2-carbonyl)piperazin-1-yl]methanone (PubChem CID 38388017) has the molecular formula C21H18FN3O2 and a molecular weight of 363.39 g/mol. Its IUPAC name is (4-fluorophenyl)-[4-(quinoline-2-carbonyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[4-(quinoline-2-carbonyl)piperazin-1-yl]methanone
PubChem CID38388017
Molecular FormulaC21H18FN3O2
Molecular Weight363.39 g/mol
Exact Mass363.14
IUPAC Name(4-fluorophenyl)-[4-(quinoline-2-carbonyl)piperazin-1-yl]methanone
SMILESO=C(c1ccc(F)cc1)N1CCN(C(=O)c2ccc3ccccc3n2)CC1
InChIInChI=1S/C21H18FN3O2/c22-17-8-5-16(6-9-17)20(26)24-11-13-25(14-12-24)21(27)19-10-7-15-3-1-2-4-18(15)23-19/h1-10H,11-14H2
InChIKeyIJNKVWIWAQBDRP-UHFFFAOYSA-N
XLogP2.97
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.39
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4-fluorophenyl)-[4-(quinoline-2-carbonyl)piperazin-1-yl]methanone with MolForge

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

Launch Full Analysis

Related Compounds

azepan-1-yl(quinolin-2-yl)methanone
CID 7779308
[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]-quinolin-2-ylmethanone
CID 90589784
1-(quinoline-2-carbonyl)piperidin-4-one
CID 2556285
N'-(4-fluorobenzoyl)quinoline-2-carbohydrazide
CID 7779547
(4-pyridin-2-ylpiperazin-1-yl)-quinolin-2-ylmethanone
CID 3691532
(4-pyridin-1-ium-4-ylpiperazin-1-yl)-quinolin-2-ylmethanone
CID 9228414
phenyl-(4-quinolin-2-ylpiperazin-1-yl)methanone
CID 23879424
[(3R,5R)-3,5-dimethylpiperidin-1-yl]-quinolin-2-ylmethanone
CID 40744893
(4-methylsulfonylpiperidin-1-yl)-quinolin-2-ylmethanone
CID 90586527
[4-(chloromethyl)piperidin-1-yl]-quinolin-2-ylmethanone
CID 63398231
(4-fluorophenyl)-(1,2,4,5-tetrahydro-[1,4]diazepino[1,7-a]benzimidazol-3-yl)methanone
CID 155902277
[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]-quinolin-2-ylmethanone
CID 122336357

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[4-(quinoline-2-carbonyl)piperazin-1-yl]methanone?
The IUPAC name of (4-fluorophenyl)-[4-(quinoline-2-carbonyl)piperazin-1-yl]methanone (CID 38388017) is (4-fluorophenyl)-[4-(quinoline-2-carbonyl)piperazin-1-yl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[4-(quinoline-2-carbonyl)piperazin-1-yl]methanone?
The canonical SMILES for (4-fluorophenyl)-[4-(quinoline-2-carbonyl)piperazin-1-yl]methanone is O=C(c1ccc(F)cc1)N1CCN(C(=O)c2ccc3ccccc3n2)CC1.
What is the InChIKey of (4-fluorophenyl)-[4-(quinoline-2-carbonyl)piperazin-1-yl]methanone?
The InChIKey is IJNKVWIWAQBDRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN3O2/c22-17-8-5-16(6-9-17)20(26)24-11-13-25(14-12-24)21(27)19-10-7-15-3-1-2-4-18(15)23-19/h1-10H,11-14H2.
What are the key properties of (4-fluorophenyl)-[4-(quinoline-2-carbonyl)piperazin-1-yl]methanone?
(4-fluorophenyl)-[4-(quinoline-2-carbonyl)piperazin-1-yl]methanone has a molecular weight of 363.39 g/mol, XLogP of 2.97, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[4-(quinoline-2-carbonyl)piperazin-1-yl]methanone is sourced from PubChem (CID 38388017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).