3-[2-(3-fluorophenyl)piperazine-1-carbonyl]-7,7-dimethyl-6,8-dihydro-1H-quinoline-2,5-dione;hydrochloride

C22H25ClFN3O3 — CID 120736535

IUPAC3-[2-(3-fluorophenyl)piperazine-1-carbonyl]-7,7-dimethyl-6,8-dihydro-1H-quinoline-2,5-dione;hydrochloride
SMILESCC1(C)CC(=O)c2cc(C(=O)N3CCNCC3c3cccc(F)c3)c(=O)[nH]c2C1.Cl
InChIInChI=1S/C22H24FN3O3.ClH/c1-22(2)10-17-15(19(27)11-22)9-16(20(28)25-17)21(29)26-7-6-24-12-18(26)13-4-3-5-14(23)8-13;/h3-5,8-9,18,24H,6-7,10-12H2,1-2H3,(H,25,28);1H
InChIKeyUGQYVZFIGGCEKU-UHFFFAOYSA-N
MW433.91 g/mol
LogP2.88
Rot. Bonds2

About 3-[2-(3-fluorophenyl)piperazine-1-carbonyl]-7,7-dimethyl-6,8-dihydro-1H-quinoline-2,5-dione;hydrochloride

3-[2-(3-fluorophenyl)piperazine-1-carbonyl]-7,7-dimethyl-6,8-dihydro-1H-quinoline-2,5-dione;hydrochloride (PubChem CID 120736535) has the molecular formula C22H25ClFN3O3 and a molecular weight of 433.91 g/mol. Its IUPAC name is 3-[2-(3-fluorophenyl)piperazine-1-carbonyl]-7,7-dimethyl-6,8-dihydro-1H-quinoline-2,5-dione;hydrochloride.

Molecular Properties

Compound Name3-[2-(3-fluorophenyl)piperazine-1-carbonyl]-7,7-dimethyl-6,8-dihydro-1H-quinoline-2,5-dione;hydrochloride
PubChem CID120736535
Molecular FormulaC22H25ClFN3O3
Molecular Weight433.91 g/mol
Exact Mass433.16
IUPAC Name3-[2-(3-fluorophenyl)piperazine-1-carbonyl]-7,7-dimethyl-6,8-dihydro-1H-quinoline-2,5-dione;hydrochloride
SMILESCC1(C)CC(=O)c2cc(C(=O)N3CCNCC3c3cccc(F)c3)c(=O)[nH]c2C1.Cl
InChIInChI=1S/C22H24FN3O3.ClH/c1-22(2)10-17-15(19(27)11-22)9-16(20(28)25-17)21(29)26-7-6-24-12-18(26)13-4-3-5-14(23)8-13;/h3-5,8-9,18,24H,6-7,10-12H2,1-2H3,(H,25,28);1H
InChIKeyUGQYVZFIGGCEKU-UHFFFAOYSA-N
XLogP2.88
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.91
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[2-(3-fluorophenyl)piperazine-1-carbonyl]-7,7-dimethyl-6,8-dihydro-1H-quinoline-2,5-dione;hydrochloride with MolForge

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Related Compounds

[2-(3-fluorophenyl)piperazin-1-yl]-(4-methylphenyl)methanone;hydrochloride
CID 120737441
[2-(3-fluorophenyl)piperazin-1-yl]-(4-methylphenyl)methanone
CID 120737442
(3,4-dimethylphenyl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone;hydrochloride
CID 120737461
1-[4-[2-(3-fluorophenyl)piperazine-1-carbonyl]phenyl]propan-1-one;hydrochloride
CID 120736893
5-[2-(3-fluorophenyl)piperazine-1-carbonyl]-2-methylisoindole-1,3-dione;hydrochloride
CID 120738086
(2,4-dimethoxyphenyl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone;hydrochloride
CID 120736417
[2-(3-fluorophenyl)piperazin-1-yl]-(4-methylsulfanylphenyl)methanone
CID 120737064
1-[3-[2-(3-fluorophenyl)piperazine-1-carbonyl]-2-methylphenyl]imidazolidin-2-one
CID 120736848
N-[(3-fluorophenyl)methyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide
CID 51053291
1-[4-[2-(3-fluorophenyl)piperazine-1-carbonyl]phenyl]imidazolidin-2-one;hydrochloride
CID 120736657
(1-tert-butyl-5-methylpyrazol-4-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone
CID 120735677
[2-(3-fluorophenyl)piperazin-1-yl]-[4-(methoxymethyl)phenyl]methanone;hydrochloride
CID 120736705

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-fluorophenyl)piperazine-1-carbonyl]-7,7-dimethyl-6,8-dihydro-1H-quinoline-2,5-dione;hydrochloride?
The IUPAC name of 3-[2-(3-fluorophenyl)piperazine-1-carbonyl]-7,7-dimethyl-6,8-dihydro-1H-quinoline-2,5-dione;hydrochloride (CID 120736535) is 3-[2-(3-fluorophenyl)piperazine-1-carbonyl]-7,7-dimethyl-6,8-dihydro-1H-quinoline-2,5-dione;hydrochloride.
What is the SMILES notation for 3-[2-(3-fluorophenyl)piperazine-1-carbonyl]-7,7-dimethyl-6,8-dihydro-1H-quinoline-2,5-dione;hydrochloride?
The canonical SMILES for 3-[2-(3-fluorophenyl)piperazine-1-carbonyl]-7,7-dimethyl-6,8-dihydro-1H-quinoline-2,5-dione;hydrochloride is CC1(C)CC(=O)c2cc(C(=O)N3CCNCC3c3cccc(F)c3)c(=O)[nH]c2C1.Cl.
What is the InChIKey of 3-[2-(3-fluorophenyl)piperazine-1-carbonyl]-7,7-dimethyl-6,8-dihydro-1H-quinoline-2,5-dione;hydrochloride?
The InChIKey is UGQYVZFIGGCEKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O3.ClH/c1-22(2)10-17-15(19(27)11-22)9-16(20(28)25-17)21(29)26-7-6-24-12-18(26)13-4-3-5-14(23)8-13;/h3-5,8-9,18,24H,6-7,10-12H2,1-2H3,(H,25,28);1H.
What are the key properties of 3-[2-(3-fluorophenyl)piperazine-1-carbonyl]-7,7-dimethyl-6,8-dihydro-1H-quinoline-2,5-dione;hydrochloride?
3-[2-(3-fluorophenyl)piperazine-1-carbonyl]-7,7-dimethyl-6,8-dihydro-1H-quinoline-2,5-dione;hydrochloride has a molecular weight of 433.91 g/mol, XLogP of 2.88, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-fluorophenyl)piperazine-1-carbonyl]-7,7-dimethyl-6,8-dihydro-1H-quinoline-2,5-dione;hydrochloride is sourced from PubChem (CID 120736535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).