1-[4-[2-(3,4-dimethylphenyl)-6-fluoroquinoline-4-carbonyl]piperazin-1-yl]ethanone

C24H24FN3O2 — CID 42750169

IUPAC1-[4-[2-(3,4-dimethylphenyl)-6-fluoroquinoline-4-carbonyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)c2cc(-c3ccc(C)c(C)c3)nc3ccc(F)cc23)CC1
InChIInChI=1S/C24H24FN3O2/c1-15-4-5-18(12-16(15)2)23-14-21(20-13-19(25)6-7-22(20)26-23)24(30)28-10-8-27(9-11-28)17(3)29/h4-7,12-14H,8-11H2,1-3H3
InChIKeyRTHYPSPJWFRBMX-UHFFFAOYSA-N
MW405.47 g/mol
LogP3.96
Rot. Bonds2

About 1-[4-[2-(3,4-dimethylphenyl)-6-fluoroquinoline-4-carbonyl]piperazin-1-yl]ethanone

1-[4-[2-(3,4-dimethylphenyl)-6-fluoroquinoline-4-carbonyl]piperazin-1-yl]ethanone (PubChem CID 42750169) has the molecular formula C24H24FN3O2 and a molecular weight of 405.47 g/mol. Its IUPAC name is 1-[4-[2-(3,4-dimethylphenyl)-6-fluoroquinoline-4-carbonyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[2-(3,4-dimethylphenyl)-6-fluoroquinoline-4-carbonyl]piperazin-1-yl]ethanone
PubChem CID42750169
Molecular FormulaC24H24FN3O2
Molecular Weight405.47 g/mol
Exact Mass405.19
IUPAC Name1-[4-[2-(3,4-dimethylphenyl)-6-fluoroquinoline-4-carbonyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)c2cc(-c3ccc(C)c(C)c3)nc3ccc(F)cc23)CC1
InChIInChI=1S/C24H24FN3O2/c1-15-4-5-18(12-16(15)2)23-14-21(20-13-19(25)6-7-22(20)26-23)24(30)28-10-8-27(9-11-28)17(3)29/h4-7,12-14H,8-11H2,1-3H3
InChIKeyRTHYPSPJWFRBMX-UHFFFAOYSA-N
XLogP3.96
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.47
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[4-[2-(3,4-dimethylphenyl)-6-fluoroquinoline-4-carbonyl]piperazin-1-yl]ethanone with MolForge

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Related Compounds

[2-(4-fluorophenyl)-6-methylquinolin-4-yl]-piperidin-1-ylmethanone
CID 42749728
1-[4-[2-(4-methylphenyl)quinoline-4-carbonyl]piperazin-1-yl]ethanone
CID 2344841
N-cyclohexyl-2-(3,4-dimethylphenyl)-6-fluoroquinoline-4-carboxamide
CID 42750152
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(6-fluoro-2-phenylquinolin-4-yl)methanone
CID 42750128
[2-(4-fluorophenyl)-6-methylquinolin-4-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 3286771
azepan-1-yl-(6-fluoro-2-methylquinolin-4-yl)methanone
CID 4732287
[2-(3,4-dimethylphenyl)quinolin-4-yl]-[(3S,5S)-3,5-dimethylpiperidin-1-yl]methanone
CID 1220276
[6-bromo-2-(4-methylphenyl)quinolin-4-yl]-[4-(2,5-dimethylphenyl)piperazin-1-yl]methanone
CID 5228625
[6-bromo-2-(3,4-dimethylphenyl)quinolin-4-yl]-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]methanone
CID 17087828
(6-fluoro-2-phenylquinolin-4-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 3557816
2-(3,4-dimethylphenyl)-6-(trifluoromethoxy)quinoline-4-carboxylic acid
CID 4223701
(4-benzylpiperazin-1-yl)-[6-fluoro-2-(1-methylpyrrol-2-yl)quinolin-4-yl]methanone
CID 42750082

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(3,4-dimethylphenyl)-6-fluoroquinoline-4-carbonyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[2-(3,4-dimethylphenyl)-6-fluoroquinoline-4-carbonyl]piperazin-1-yl]ethanone (CID 42750169) is 1-[4-[2-(3,4-dimethylphenyl)-6-fluoroquinoline-4-carbonyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[2-(3,4-dimethylphenyl)-6-fluoroquinoline-4-carbonyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[2-(3,4-dimethylphenyl)-6-fluoroquinoline-4-carbonyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(C(=O)c2cc(-c3ccc(C)c(C)c3)nc3ccc(F)cc23)CC1.
What is the InChIKey of 1-[4-[2-(3,4-dimethylphenyl)-6-fluoroquinoline-4-carbonyl]piperazin-1-yl]ethanone?
The InChIKey is RTHYPSPJWFRBMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN3O2/c1-15-4-5-18(12-16(15)2)23-14-21(20-13-19(25)6-7-22(20)26-23)24(30)28-10-8-27(9-11-28)17(3)29/h4-7,12-14H,8-11H2,1-3H3.
What are the key properties of 1-[4-[2-(3,4-dimethylphenyl)-6-fluoroquinoline-4-carbonyl]piperazin-1-yl]ethanone?
1-[4-[2-(3,4-dimethylphenyl)-6-fluoroquinoline-4-carbonyl]piperazin-1-yl]ethanone has a molecular weight of 405.47 g/mol, XLogP of 3.96, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(3,4-dimethylphenyl)-6-fluoroquinoline-4-carbonyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 42750169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).