4-[2-(3-fluorophenyl)piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one;hydrochloride

C20H21ClFN3O2 — CID 120736663

IUPAC4-[2-(3-fluorophenyl)piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one;hydrochloride
SMILESCl.O=C1CC(C(=O)N2CCNCC2c2cccc(F)c2)c2ccccc2N1
InChIInChI=1S/C20H20FN3O2.ClH/c21-14-5-3-4-13(10-14)18-12-22-8-9-24(18)20(26)16-11-19(25)23-17-7-2-1-6-15(16)17;/h1-7,10,16,18,22H,8-9,11-12H2,(H,23,25);1H
InChIKeyHZIFRBZBYTYHJK-UHFFFAOYSA-N
MW389.86 g/mol
LogP2.85
Rot. Bonds2

About 4-[2-(3-fluorophenyl)piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one;hydrochloride

4-[2-(3-fluorophenyl)piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one;hydrochloride (PubChem CID 120736663) has the molecular formula C20H21ClFN3O2 and a molecular weight of 389.86 g/mol. Its IUPAC name is 4-[2-(3-fluorophenyl)piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one;hydrochloride.

Molecular Properties

Compound Name4-[2-(3-fluorophenyl)piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one;hydrochloride
PubChem CID120736663
Molecular FormulaC20H21ClFN3O2
Molecular Weight389.86 g/mol
Exact Mass389.13
IUPAC Name4-[2-(3-fluorophenyl)piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one;hydrochloride
SMILESCl.O=C1CC(C(=O)N2CCNCC2c2cccc(F)c2)c2ccccc2N1
InChIInChI=1S/C20H20FN3O2.ClH/c21-14-5-3-4-13(10-14)18-12-22-8-9-24(18)20(26)16-11-19(25)23-17-7-2-1-6-15(16)17;/h1-7,10,16,18,22H,8-9,11-12H2,(H,23,25);1H
InChIKeyHZIFRBZBYTYHJK-UHFFFAOYSA-N
XLogP2.85
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.86
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(4-ethylphenyl)piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one;hydrochloride
CID 120740736
5-[2-(3-fluorophenyl)piperazine-1-carbonyl]piperidin-2-one;hydrochloride
CID 120736265
3,4-dihydro-1H-isochromen-1-yl-[2-(3-fluorophenyl)piperazin-1-yl]methanone;hydrochloride
CID 120736755
2-cyclobutyl-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone;hydrochloride
CID 120736006
1-(4-fluorophenyl)-3-[2-(3-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 120736568
1-[2-(3-fluorophenyl)piperazin-1-yl]-2-[2-(trifluoromethyl)phenyl]ethanone;hydrochloride
CID 120735990
[2-(3-fluorophenyl)piperazin-1-yl]-(thian-4-yl)methanone;hydrochloride
CID 120737909
2-(1-benzothiophen-3-yl)-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone
CID 120735995
1-[2-(3-fluorophenyl)piperazin-1-yl]-2-imidazo[1,2-a]pyridin-2-ylethanone;dihydrochloride
CID 120735838
1-[2-(3-fluorophenyl)piperazin-1-yl]-2-(4-hydroxyphenyl)sulfanylethanone;hydrochloride
CID 120737545
3-[2-[2-(3-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1H-quinazoline-2,4-dione;hydrochloride
CID 120737659
N-[2-[2-(3-fluorophenyl)piperazin-1-yl]-2-oxoethyl]acetamide;hydrochloride
CID 120737437

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-fluorophenyl)piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one;hydrochloride?
The IUPAC name of 4-[2-(3-fluorophenyl)piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one;hydrochloride (CID 120736663) is 4-[2-(3-fluorophenyl)piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one;hydrochloride.
What is the SMILES notation for 4-[2-(3-fluorophenyl)piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one;hydrochloride?
The canonical SMILES for 4-[2-(3-fluorophenyl)piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one;hydrochloride is Cl.O=C1CC(C(=O)N2CCNCC2c2cccc(F)c2)c2ccccc2N1.
What is the InChIKey of 4-[2-(3-fluorophenyl)piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one;hydrochloride?
The InChIKey is HZIFRBZBYTYHJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O2.ClH/c21-14-5-3-4-13(10-14)18-12-22-8-9-24(18)20(26)16-11-19(25)23-17-7-2-1-6-15(16)17;/h1-7,10,16,18,22H,8-9,11-12H2,(H,23,25);1H.
What are the key properties of 4-[2-(3-fluorophenyl)piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one;hydrochloride?
4-[2-(3-fluorophenyl)piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one;hydrochloride has a molecular weight of 389.86 g/mol, XLogP of 2.85, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-fluorophenyl)piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one;hydrochloride is sourced from PubChem (CID 120736663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).