[2-(4-fluorophenyl)-6-methylquinolin-4-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone

C27H23F2N3O — CID 3286771

IUPAC[2-(4-fluorophenyl)-6-methylquinolin-4-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
SMILESCc1ccc2nc(-c3ccc(F)cc3)cc(C(=O)N3CCN(c4ccccc4F)CC3)c2c1
InChIInChI=1S/C27H23F2N3O/c1-18-6-11-24-21(16-18)22(17-25(30-24)19-7-9-20(28)10-8-19)27(33)32-14-12-31(13-15-32)26-5-3-2-4-23(26)29/h2-11,16-17H,12-15H2,1H3
InChIKeyVURCXIRPXDQCNC-UHFFFAOYSA-N
MW443.50 g/mol
LogP5.45
Rot. Bonds3

About [2-(4-fluorophenyl)-6-methylquinolin-4-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone

[2-(4-fluorophenyl)-6-methylquinolin-4-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone (PubChem CID 3286771) has the molecular formula C27H23F2N3O and a molecular weight of 443.50 g/mol. Its IUPAC name is [2-(4-fluorophenyl)-6-methylquinolin-4-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[2-(4-fluorophenyl)-6-methylquinolin-4-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
PubChem CID3286771
Molecular FormulaC27H23F2N3O
Molecular Weight443.50 g/mol
Exact Mass443.18
IUPAC Name[2-(4-fluorophenyl)-6-methylquinolin-4-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
SMILESCc1ccc2nc(-c3ccc(F)cc3)cc(C(=O)N3CCN(c4ccccc4F)CC3)c2c1
InChIInChI=1S/C27H23F2N3O/c1-18-6-11-24-21(16-18)22(17-25(30-24)19-7-9-20(28)10-8-19)27(33)32-14-12-31(13-15-32)26-5-3-2-4-23(26)29/h2-11,16-17H,12-15H2,1H3
InChIKeyVURCXIRPXDQCNC-UHFFFAOYSA-N
XLogP5.45
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.50
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [2-(4-fluorophenyl)-6-methylquinolin-4-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone with MolForge

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Related Compounds

[2-(4-fluorophenyl)-6-methylquinolin-4-yl]-piperidin-1-ylmethanone
CID 42749728
[2-(4-methoxyphenyl)-6-methylquinolin-4-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 3369416
[6-methyl-2-(4-propan-2-ylphenyl)quinolin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 4283982
[4-(2-methylphenyl)piperazin-1-yl]-(6-methyl-2-thiophen-3-ylquinolin-4-yl)methanone
CID 42749891
[2-(3-methoxyphenyl)-6-methylquinolin-4-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 4244399
[6-bromo-2-(4-methylphenyl)quinolin-4-yl]-[4-(2,5-dimethylphenyl)piperazin-1-yl]methanone
CID 5228625
[6-methyl-2-(1-methylpyrrol-2-yl)quinolin-4-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 42749623
(2,4-dimethylphenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 925290
(6-methyl-2-pyridin-4-ylquinolin-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 1261235
1-[4-[2-(4-methylphenyl)quinoline-4-carbonyl]piperazin-1-yl]ethanone
CID 2344841
[4-(2-fluorophenyl)piperazin-1-yl]-(2-thiophen-2-ylquinolin-4-yl)methanone
CID 4584269
ethyl 4-[2-(2-fluorophenyl)-6-methylquinoline-4-carbonyl]piperazine-1-carboxylate
CID 42749933

Frequently Asked Questions

What is the IUPAC name of [2-(4-fluorophenyl)-6-methylquinolin-4-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
The IUPAC name of [2-(4-fluorophenyl)-6-methylquinolin-4-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone (CID 3286771) is [2-(4-fluorophenyl)-6-methylquinolin-4-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone.
What is the SMILES notation for [2-(4-fluorophenyl)-6-methylquinolin-4-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
The canonical SMILES for [2-(4-fluorophenyl)-6-methylquinolin-4-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone is Cc1ccc2nc(-c3ccc(F)cc3)cc(C(=O)N3CCN(c4ccccc4F)CC3)c2c1.
What is the InChIKey of [2-(4-fluorophenyl)-6-methylquinolin-4-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
The InChIKey is VURCXIRPXDQCNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23F2N3O/c1-18-6-11-24-21(16-18)22(17-25(30-24)19-7-9-20(28)10-8-19)27(33)32-14-12-31(13-15-32)26-5-3-2-4-23(26)29/h2-11,16-17H,12-15H2,1H3.
What are the key properties of [2-(4-fluorophenyl)-6-methylquinolin-4-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
[2-(4-fluorophenyl)-6-methylquinolin-4-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone has a molecular weight of 443.50 g/mol, XLogP of 5.45, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluorophenyl)-6-methylquinolin-4-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 3286771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).