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

C22H26ClN3O2 — CID 120740736

IUPAC4-[2-(4-ethylphenyl)piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one;hydrochloride
SMILESCCc1ccc(C2CNCCN2C(=O)C2CC(=O)Nc3ccccc32)cc1.Cl
InChIInChI=1S/C22H25N3O2.ClH/c1-2-15-7-9-16(10-8-15)20-14-23-11-12-25(20)22(27)18-13-21(26)24-19-6-4-3-5-17(18)19;/h3-10,18,20,23H,2,11-14H2,1H3,(H,24,26);1H
InChIKeyPBSYHIUVLHMNLH-UHFFFAOYSA-N
MW399.92 g/mol
LogP3.27
Rot. Bonds3

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

4-[2-(4-ethylphenyl)piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one;hydrochloride (PubChem CID 120740736) has the molecular formula C22H26ClN3O2 and a molecular weight of 399.92 g/mol. Its IUPAC name is 4-[2-(4-ethylphenyl)piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one;hydrochloride.

Molecular Properties

Compound Name4-[2-(4-ethylphenyl)piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one;hydrochloride
PubChem CID120740736
Molecular FormulaC22H26ClN3O2
Molecular Weight399.92 g/mol
Exact Mass399.17
IUPAC Name4-[2-(4-ethylphenyl)piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one;hydrochloride
SMILESCCc1ccc(C2CNCCN2C(=O)C2CC(=O)Nc3ccccc32)cc1.Cl
InChIInChI=1S/C22H25N3O2.ClH/c1-2-15-7-9-16(10-8-15)20-14-23-11-12-25(20)22(27)18-13-21(26)24-19-6-4-3-5-17(18)19;/h3-10,18,20,23H,2,11-14H2,1H3,(H,24,26);1H
InChIKeyPBSYHIUVLHMNLH-UHFFFAOYSA-N
XLogP3.27
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.92
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(3-fluorophenyl)piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one;hydrochloride
CID 120736663
4-[2-(4-ethylphenyl)piperazine-1-carbonyl]piperidin-2-one;hydrochloride
CID 120741572
3-[3-[2-(4-ethylphenyl)piperazin-1-yl]-3-oxopropyl]-3,4-dihydro-1H-quinolin-2-one;hydrochloride
CID 120741648
cyclohexyl-[2-(4-ethylphenyl)piperazin-1-yl]methanone;hydrochloride
CID 120740582
2,3-dihydro-1-benzofuran-2-yl-[2-(4-ethylphenyl)piperazin-1-yl]methanone;hydrochloride
CID 120740500
cyclopentyl-[2-(4-ethylphenyl)piperazin-1-yl]methanone
CID 120741701
1-[2-(4-ethylphenyl)piperazin-1-yl]butan-1-one
CID 120740551
1-[2-(4-ethylphenyl)piperazin-1-yl]-2-phenoxyethanone;hydrochloride
CID 120741482
1-[2-(4-ethylphenyl)piperazin-1-yl]-2-methylbutan-1-one;hydrochloride
CID 120741416
1-[2-(4-ethylphenyl)piperazin-1-yl]-2-(4-fluorophenyl)ethanone
CID 120741031
[2-(4-ethylphenyl)piperazin-1-yl]-(1H-indazol-3-yl)methanone;hydrochloride
CID 120741702
1-[2-(4-ethylphenyl)piperazin-1-yl]-3,3,3-trifluoropropan-1-one;hydrochloride
CID 120741414

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-ethylphenyl)piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one;hydrochloride?
The IUPAC name of 4-[2-(4-ethylphenyl)piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one;hydrochloride (CID 120740736) is 4-[2-(4-ethylphenyl)piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one;hydrochloride.
What is the SMILES notation for 4-[2-(4-ethylphenyl)piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one;hydrochloride?
The canonical SMILES for 4-[2-(4-ethylphenyl)piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one;hydrochloride is CCc1ccc(C2CNCCN2C(=O)C2CC(=O)Nc3ccccc32)cc1.Cl.
What is the InChIKey of 4-[2-(4-ethylphenyl)piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one;hydrochloride?
The InChIKey is PBSYHIUVLHMNLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2.ClH/c1-2-15-7-9-16(10-8-15)20-14-23-11-12-25(20)22(27)18-13-21(26)24-19-6-4-3-5-17(18)19;/h3-10,18,20,23H,2,11-14H2,1H3,(H,24,26);1H.
What are the key properties of 4-[2-(4-ethylphenyl)piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one;hydrochloride?
4-[2-(4-ethylphenyl)piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one;hydrochloride has a molecular weight of 399.92 g/mol, XLogP of 3.27, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-ethylphenyl)piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one;hydrochloride is sourced from PubChem (CID 120740736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).