7-[(E)-4-[4-(2,3-dichlorophenyl)piperazin-1-yl]but-3-enoxy]-1H-quinolin-2-one

C23H23Cl2N3O2 — CID 143635724

IUPAC7-[(E)-4-[4-(2,3-dichlorophenyl)piperazin-1-yl]but-3-enoxy]-1H-quinolin-2-one
SMILESO=c1ccc2ccc(OCC/C=C/N3CCN(c4cccc(Cl)c4Cl)CC3)cc2[nH]1
InChIInChI=1S/C23H23Cl2N3O2/c24-19-4-3-5-21(23(19)25)28-13-11-27(12-14-28)10-1-2-15-30-18-8-6-17-7-9-22(29)26-20(17)16-18/h1,3-10,16H,2,11-15H2,(H,26,29)/b10-1+
InChIKeyFHBPXQOHPBTPOI-BCTAIJSYSA-N
MW444.36 g/mol
LogP4.94
Rot. Bonds6

About 7-[(E)-4-[4-(2,3-dichlorophenyl)piperazin-1-yl]but-3-enoxy]-1H-quinolin-2-one

7-[(E)-4-[4-(2,3-dichlorophenyl)piperazin-1-yl]but-3-enoxy]-1H-quinolin-2-one (PubChem CID 143635724) has the molecular formula C23H23Cl2N3O2 and a molecular weight of 444.36 g/mol. Its IUPAC name is 7-[(E)-4-[4-(2,3-dichlorophenyl)piperazin-1-yl]but-3-enoxy]-1H-quinolin-2-one.

Molecular Properties

Compound Name7-[(E)-4-[4-(2,3-dichlorophenyl)piperazin-1-yl]but-3-enoxy]-1H-quinolin-2-one
PubChem CID143635724
Molecular FormulaC23H23Cl2N3O2
Molecular Weight444.36 g/mol
Exact Mass443.12
IUPAC Name7-[(E)-4-[4-(2,3-dichlorophenyl)piperazin-1-yl]but-3-enoxy]-1H-quinolin-2-one
SMILESO=c1ccc2ccc(OCC/C=C/N3CCN(c4cccc(Cl)c4Cl)CC3)cc2[nH]1
InChIInChI=1S/C23H23Cl2N3O2/c24-19-4-3-5-21(23(19)25)28-13-11-27(12-14-28)10-1-2-15-30-18-8-6-17-7-9-22(29)26-20(17)16-18/h1,3-10,16H,2,11-15H2,(H,26,29)/b10-1+
InChIKeyFHBPXQOHPBTPOI-BCTAIJSYSA-N
XLogP4.94
TPSA48.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.36
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

7-[(Z)-4-[4-(2,3-dichlorophenyl)piperazin-1-yl]but-2-enoxy]-1H-quinolin-2-one
CID 11775114
7-[4-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]butoxy]-1H-quinolin-2-one
CID 10812321
7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-1H-1,6-naphthyridin-2-one
CID 21073533
butane;7-[4-(2-chloro-3-methylphenyl)piperazin-1-yl]oxy-1H-quinolin-2-one
CID 159786414
7-[4-[4-[2-[(Z)-prop-1-enyl]phenyl]piperazin-1-yl]butoxy]-1H-quinolin-2-one
CID 135231666
7-(4-pyrrolidin-1-ylbutoxy)-1H-quinolin-2-one
CID 175845391
7-[4-[4-(2-ethoxyphenyl)-1,4-diazepan-1-yl]butoxy]-1H-quinolin-2-one
CID 66633584
6-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]isoindol-1-one
CID 69164528
2-[4-[4-[(2-oxo-1H-quinolin-7-yl)oxy]butyl]piperazin-1-yl]-6-propylsulfanylbenzaldehyde
CID 126748195
N,N-dibenzyl-7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-2-oxoquinoline-1-carboxamide
CID 58579123
1,2-dichlorobenzene;6-(4-sulfinylbutoxy)-1H-quinolin-2-one
CID 88706822
7-[4-[4-(2-propan-2-yloxyphenyl)-1,4-diazepan-1-yl]butoxy]-1H-quinolin-2-one
CID 56599011

Frequently Asked Questions

What is the IUPAC name of 7-[(E)-4-[4-(2,3-dichlorophenyl)piperazin-1-yl]but-3-enoxy]-1H-quinolin-2-one?
The IUPAC name of 7-[(E)-4-[4-(2,3-dichlorophenyl)piperazin-1-yl]but-3-enoxy]-1H-quinolin-2-one (CID 143635724) is 7-[(E)-4-[4-(2,3-dichlorophenyl)piperazin-1-yl]but-3-enoxy]-1H-quinolin-2-one.
What is the SMILES notation for 7-[(E)-4-[4-(2,3-dichlorophenyl)piperazin-1-yl]but-3-enoxy]-1H-quinolin-2-one?
The canonical SMILES for 7-[(E)-4-[4-(2,3-dichlorophenyl)piperazin-1-yl]but-3-enoxy]-1H-quinolin-2-one is O=c1ccc2ccc(OCC/C=C/N3CCN(c4cccc(Cl)c4Cl)CC3)cc2[nH]1.
What is the InChIKey of 7-[(E)-4-[4-(2,3-dichlorophenyl)piperazin-1-yl]but-3-enoxy]-1H-quinolin-2-one?
The InChIKey is FHBPXQOHPBTPOI-BCTAIJSYSA-N. The full InChI is InChI=1S/C23H23Cl2N3O2/c24-19-4-3-5-21(23(19)25)28-13-11-27(12-14-28)10-1-2-15-30-18-8-6-17-7-9-22(29)26-20(17)16-18/h1,3-10,16H,2,11-15H2,(H,26,29)/b10-1+.
What are the key properties of 7-[(E)-4-[4-(2,3-dichlorophenyl)piperazin-1-yl]but-3-enoxy]-1H-quinolin-2-one?
7-[(E)-4-[4-(2,3-dichlorophenyl)piperazin-1-yl]but-3-enoxy]-1H-quinolin-2-one has a molecular weight of 444.36 g/mol, XLogP of 4.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(E)-4-[4-(2,3-dichlorophenyl)piperazin-1-yl]but-3-enoxy]-1H-quinolin-2-one is sourced from PubChem (CID 143635724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).