[4-(benzo[f]quinoline-5-carbonyl)piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone

C26H20F3N3O2 — CID 55785012

IUPAC[4-(benzo[f]quinoline-5-carbonyl)piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1cccc(C(F)(F)F)c1)N1CCN(C(=O)c2cc3ccccc3c3cccnc23)CC1
InChIInChI=1S/C26H20F3N3O2/c27-26(28,29)19-7-3-6-18(15-19)24(33)31-11-13-32(14-12-31)25(34)22-16-17-5-1-2-8-20(17)21-9-4-10-30-23(21)22/h1-10,15-16H,11-14H2
InChIKeyGKDJHPHKZZQHPZ-UHFFFAOYSA-N
MW463.46 g/mol
LogP5.01
Rot. Bonds2

About [4-(benzo[f]quinoline-5-carbonyl)piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone

[4-(benzo[f]quinoline-5-carbonyl)piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone (PubChem CID 55785012) has the molecular formula C26H20F3N3O2 and a molecular weight of 463.46 g/mol. Its IUPAC name is [4-(benzo[f]quinoline-5-carbonyl)piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name[4-(benzo[f]quinoline-5-carbonyl)piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
PubChem CID55785012
Molecular FormulaC26H20F3N3O2
Molecular Weight463.46 g/mol
Exact Mass463.15
IUPAC Name[4-(benzo[f]quinoline-5-carbonyl)piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1cccc(C(F)(F)F)c1)N1CCN(C(=O)c2cc3ccccc3c3cccnc23)CC1
InChIInChI=1S/C26H20F3N3O2/c27-26(28,29)19-7-3-6-18(15-19)24(33)31-11-13-32(14-12-31)25(34)22-16-17-5-1-2-8-20(17)21-9-4-10-30-23(21)22/h1-10,15-16H,11-14H2
InChIKeyGKDJHPHKZZQHPZ-UHFFFAOYSA-N
XLogP5.01
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.46
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze [4-(benzo[f]quinoline-5-carbonyl)piperazin-1-yl]-[3-(trifluoromethyl)phenyl]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

[4-(benzo[f]quinoline-5-carbonyl)piperazin-1-yl]-(4-hydroxyphenyl)methanone
CID 167947336
benzo[f]quinolin-5-yl-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methanone
CID 55754039
[4-(2-chloroquinoline-4-carbonyl)piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 55785069
1-(benzo[f]quinoline-5-carbonyl)-4-hydroxypiperidine-4-carboxylic acid
CID 120528096
[1-(benzo[f]quinoline-5-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 55758585
2-[4-(benzo[f]quinoline-5-carbonyl)piperazin-1-yl]-N-butan-2-ylacetamide
CID 55762083
(4-pyridin-4-ylpiperazin-1-yl)-[3-(trifluoromethyl)phenyl]methanone
CID 9048304
[3-(trifluoromethyl)phenyl]-[4-[4-(trifluoromethyl)pyridine-3-carbonyl]-1,4-diazepan-1-yl]methanone
CID 24736032
[4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 56699985
benzo[f]quinolin-5-yl-(3-methylpiperazin-1-yl)methanone;dihydrochloride
CID 119579435
1-[3-(trifluoromethyl)benzoyl]piperidin-4-one
CID 3815225
[4-(2-ethylsulfonylbenzoyl)piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 55747004

Frequently Asked Questions

What is the IUPAC name of [4-(benzo[f]quinoline-5-carbonyl)piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone?
The IUPAC name of [4-(benzo[f]quinoline-5-carbonyl)piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone (CID 55785012) is [4-(benzo[f]quinoline-5-carbonyl)piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for [4-(benzo[f]quinoline-5-carbonyl)piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for [4-(benzo[f]quinoline-5-carbonyl)piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone is O=C(c1cccc(C(F)(F)F)c1)N1CCN(C(=O)c2cc3ccccc3c3cccnc23)CC1.
What is the InChIKey of [4-(benzo[f]quinoline-5-carbonyl)piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone?
The InChIKey is GKDJHPHKZZQHPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20F3N3O2/c27-26(28,29)19-7-3-6-18(15-19)24(33)31-11-13-32(14-12-31)25(34)22-16-17-5-1-2-8-20(17)21-9-4-10-30-23(21)22/h1-10,15-16H,11-14H2.
What are the key properties of [4-(benzo[f]quinoline-5-carbonyl)piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone?
[4-(benzo[f]quinoline-5-carbonyl)piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone has a molecular weight of 463.46 g/mol, XLogP of 5.01, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(benzo[f]quinoline-5-carbonyl)piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 55785012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).