4-[3-(2-chlorophenoxy)propyl]-6-(piperazine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one;hydrochloride

C23H27Cl2N3O3 — CID 70501940

IUPAC4-[3-(2-chlorophenoxy)propyl]-6-(piperazine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one;hydrochloride
SMILESCl.O=C1CC(CCCOc2ccccc2Cl)c2cc(C(=O)N3CCNCC3)ccc2N1
InChIInChI=1S/C23H26ClN3O3.ClH/c24-19-5-1-2-6-21(19)30-13-3-4-16-15-22(28)26-20-8-7-17(14-18(16)20)23(29)27-11-9-25-10-12-27;/h1-2,5-8,14,16,25H,3-4,9-13,15H2,(H,26,28);1H
InChIKeyWYAYZGXGMHTJFI-UHFFFAOYSA-N
MW464.39 g/mol
LogP4.09
Rot. Bonds6

About 4-[3-(2-chlorophenoxy)propyl]-6-(piperazine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one;hydrochloride

4-[3-(2-chlorophenoxy)propyl]-6-(piperazine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one;hydrochloride (PubChem CID 70501940) has the molecular formula C23H27Cl2N3O3 and a molecular weight of 464.39 g/mol. Its IUPAC name is 4-[3-(2-chlorophenoxy)propyl]-6-(piperazine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one;hydrochloride.

Molecular Properties

Compound Name4-[3-(2-chlorophenoxy)propyl]-6-(piperazine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one;hydrochloride
PubChem CID70501940
Molecular FormulaC23H27Cl2N3O3
Molecular Weight464.39 g/mol
Exact Mass463.14
IUPAC Name4-[3-(2-chlorophenoxy)propyl]-6-(piperazine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one;hydrochloride
SMILESCl.O=C1CC(CCCOc2ccccc2Cl)c2cc(C(=O)N3CCNCC3)ccc2N1
InChIInChI=1S/C23H26ClN3O3.ClH/c24-19-5-1-2-6-21(19)30-13-3-4-16-15-22(28)26-20-8-7-17(14-18(16)20)23(29)27-11-9-25-10-12-27;/h1-2,5-8,14,16,25H,3-4,9-13,15H2,(H,26,28);1H
InChIKeyWYAYZGXGMHTJFI-UHFFFAOYSA-N
XLogP4.09
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.39
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(3,4-dichlorophenyl)-piperazin-1-ylmethanone;hydrochloride
CID 119400113
1-(cyclopropanecarbonyl)-2-(2,4-dichlorophenyl)-7-(piperazine-1-carbonyl)-3,5-dihydro-2H-1,5-benzodiazepin-4-one
CID 23852258
4-(2-chlorophenoxy)-1-[4-(3,4-dimethylbenzoyl)-1,4-diazepan-1-yl]butan-1-one
CID 108547054
[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-phenylmethanone
CID 78787888
7-(piperazine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one;hydrochloride
CID 13369863
1-[4-(3-chlorobenzoyl)-1,4-diazepan-1-yl]-4-(2-chlorophenoxy)butan-1-one
CID 108545192
4-(2-chlorophenoxy)-1-[4-(3,5-dihydroxybenzoyl)-1,4-diazepan-1-yl]butan-1-one
CID 108547059
[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-[1-(4-fluorobenzoyl)piperidin-4-yl]methanone
CID 33323564
(3,4-diethoxyphenyl)-piperazin-1-ylmethanone;hydrochloride
CID 119400534
7-(1,4-diazepane-1-carbonyl)-2-(2,4-dichlorophenyl)-1-(2-methoxyacetyl)-3,5-dihydro-2H-1,5-benzodiazepin-4-one
CID 23766365
N-[3-[4-[4-(2-chlorophenoxy)butanoyl]piperazine-1-carbonyl]phenyl]acetamide
CID 108536264
[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-[4-(methoxymethyl)piperidin-4-yl]methanone;dihydrochloride
CID 120640847

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-chlorophenoxy)propyl]-6-(piperazine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one;hydrochloride?
The IUPAC name of 4-[3-(2-chlorophenoxy)propyl]-6-(piperazine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one;hydrochloride (CID 70501940) is 4-[3-(2-chlorophenoxy)propyl]-6-(piperazine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one;hydrochloride.
What is the SMILES notation for 4-[3-(2-chlorophenoxy)propyl]-6-(piperazine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one;hydrochloride?
The canonical SMILES for 4-[3-(2-chlorophenoxy)propyl]-6-(piperazine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one;hydrochloride is Cl.O=C1CC(CCCOc2ccccc2Cl)c2cc(C(=O)N3CCNCC3)ccc2N1.
What is the InChIKey of 4-[3-(2-chlorophenoxy)propyl]-6-(piperazine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one;hydrochloride?
The InChIKey is WYAYZGXGMHTJFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN3O3.ClH/c24-19-5-1-2-6-21(19)30-13-3-4-16-15-22(28)26-20-8-7-17(14-18(16)20)23(29)27-11-9-25-10-12-27;/h1-2,5-8,14,16,25H,3-4,9-13,15H2,(H,26,28);1H.
What are the key properties of 4-[3-(2-chlorophenoxy)propyl]-6-(piperazine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one;hydrochloride?
4-[3-(2-chlorophenoxy)propyl]-6-(piperazine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one;hydrochloride has a molecular weight of 464.39 g/mol, XLogP of 4.09, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-chlorophenoxy)propyl]-6-(piperazine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one;hydrochloride is sourced from PubChem (CID 70501940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).