6-[4-[3-(4-methoxyphenyl)-3-oxopropyl]piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one;hydrate;hydrochloride

C24H30ClN3O5 — CID 13369823

IUPAC6-[4-[3-(4-methoxyphenyl)-3-oxopropyl]piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one;hydrate;hydrochloride
SMILESCOc1ccc(C(=O)CCN2CCN(C(=O)c3ccc4c(c3)CCC(=O)N4)CC2)cc1.Cl.O
InChIInChI=1S/C24H27N3O4.ClH.H2O/c1-31-20-6-2-17(3-7-20)22(28)10-11-26-12-14-27(15-13-26)24(30)19-4-8-21-18(16-19)5-9-23(29)25-21;;/h2-4,6-8,16H,5,9-15H2,1H3,(H,25,29);1H;1H2
InChIKeyOGUPZDROAKHDLC-UHFFFAOYSA-N
MW475.97 g/mol
LogP2.21
Rot. Bonds6

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

6-[4-[3-(4-methoxyphenyl)-3-oxopropyl]piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one;hydrate;hydrochloride (PubChem CID 13369823) has the molecular formula C24H30ClN3O5 and a molecular weight of 475.97 g/mol. Its IUPAC name is 6-[4-[3-(4-methoxyphenyl)-3-oxopropyl]piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one;hydrate;hydrochloride.

Molecular Properties

Compound Name6-[4-[3-(4-methoxyphenyl)-3-oxopropyl]piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one;hydrate;hydrochloride
PubChem CID13369823
Molecular FormulaC24H30ClN3O5
Molecular Weight475.97 g/mol
Exact Mass475.19
IUPAC Name6-[4-[3-(4-methoxyphenyl)-3-oxopropyl]piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one;hydrate;hydrochloride
SMILESCOc1ccc(C(=O)CCN2CCN(C(=O)c3ccc4c(c3)CCC(=O)N4)CC2)cc1.Cl.O
InChIInChI=1S/C24H27N3O4.ClH.H2O/c1-31-20-6-2-17(3-7-20)22(28)10-11-26-12-14-27(15-13-26)24(30)19-4-8-21-18(16-19)5-9-23(29)25-21;;/h2-4,6-8,16H,5,9-15H2,1H3,(H,25,29);1H;1H2
InChIKeyOGUPZDROAKHDLC-UHFFFAOYSA-N
XLogP2.21
TPSA110.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.97
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-[4-[3-(4-methoxyphenyl)-3-oxopropyl]piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one;hydrate;hydrochloride with MolForge

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Related Compounds

6-[4-(3-methoxybenzoyl)piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
CID 38047191
6-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
CID 13369772
6-[4-[3-(4-methylphenoxy)propyl]piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
CID 13369783
6-(4-hexylpiperazine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one
CID 13195369
6-(4-butanoylpiperazine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one
CID 110800015
3-(4-benzoylpiperazin-1-yl)-1-[4-(4-methoxyphenoxy)phenyl]propan-1-one;dihydrochloride
CID 18362769
6-[3-[4-(3-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]propanoyl]-3,4-dihydro-1H-quinolin-2-one
CID 13120847
6-[4-(3-methoxybenzoyl)piperazin-1-yl]-3,4-dihydro-1H-quinolin-2-one
CID 100934263
5-[4-(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)piperazin-1-yl]-2-phenylpentanenitrile;hydrochloride
CID 14881418
5-[4-(4-methoxybenzoyl)piperazin-1-yl]-1,3-dihydroindol-2-one
CID 110414687
6-[4-[(4-propan-2-ylphenyl)methyl]piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
CID 31281845
ethyl 4-[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]piperazine-1-carboxylate;hydrochloride
CID 13136739

Frequently Asked Questions

What is the IUPAC name of 6-[4-[3-(4-methoxyphenyl)-3-oxopropyl]piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one;hydrate;hydrochloride?
The IUPAC name of 6-[4-[3-(4-methoxyphenyl)-3-oxopropyl]piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one;hydrate;hydrochloride (CID 13369823) is 6-[4-[3-(4-methoxyphenyl)-3-oxopropyl]piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one;hydrate;hydrochloride.
What is the SMILES notation for 6-[4-[3-(4-methoxyphenyl)-3-oxopropyl]piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one;hydrate;hydrochloride?
The canonical SMILES for 6-[4-[3-(4-methoxyphenyl)-3-oxopropyl]piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one;hydrate;hydrochloride is COc1ccc(C(=O)CCN2CCN(C(=O)c3ccc4c(c3)CCC(=O)N4)CC2)cc1.Cl.O.
What is the InChIKey of 6-[4-[3-(4-methoxyphenyl)-3-oxopropyl]piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one;hydrate;hydrochloride?
The InChIKey is OGUPZDROAKHDLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O4.ClH.H2O/c1-31-20-6-2-17(3-7-20)22(28)10-11-26-12-14-27(15-13-26)24(30)19-4-8-21-18(16-19)5-9-23(29)25-21;;/h2-4,6-8,16H,5,9-15H2,1H3,(H,25,29);1H;1H2.
What are the key properties of 6-[4-[3-(4-methoxyphenyl)-3-oxopropyl]piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one;hydrate;hydrochloride?
6-[4-[3-(4-methoxyphenyl)-3-oxopropyl]piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one;hydrate;hydrochloride has a molecular weight of 475.97 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[3-(4-methoxyphenyl)-3-oxopropyl]piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one;hydrate;hydrochloride is sourced from PubChem (CID 13369823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).