7-[4-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]butoxy]-1H-quinolin-2-one

C24H28ClN3O2 — CID 10812321

IUPAC7-[4-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]butoxy]-1H-quinolin-2-one
SMILESCc1c(Cl)cccc1N1CCN(CCCCOc2ccc3ccc(=O)[nH]c3c2)CC1
InChIInChI=1S/C24H28ClN3O2/c1-18-21(25)5-4-6-23(18)28-14-12-27(13-15-28)11-2-3-16-30-20-9-7-19-8-10-24(29)26-22(19)17-20/h4-10,17H,2-3,11-16H2,1H3,(H,26,29)
InChIKeyWEFZNUHTBNRTIT-UHFFFAOYSA-N
MW425.96 g/mol
LogP4.47
Rot. Bonds7

About 7-[4-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]butoxy]-1H-quinolin-2-one

7-[4-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]butoxy]-1H-quinolin-2-one (PubChem CID 10812321) has the molecular formula C24H28ClN3O2 and a molecular weight of 425.96 g/mol. Its IUPAC name is 7-[4-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]butoxy]-1H-quinolin-2-one.

Molecular Properties

Compound Name7-[4-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]butoxy]-1H-quinolin-2-one
PubChem CID10812321
Molecular FormulaC24H28ClN3O2
Molecular Weight425.96 g/mol
Exact Mass425.19
IUPAC Name7-[4-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]butoxy]-1H-quinolin-2-one
SMILESCc1c(Cl)cccc1N1CCN(CCCCOc2ccc3ccc(=O)[nH]c3c2)CC1
InChIInChI=1S/C24H28ClN3O2/c1-18-21(25)5-4-6-23(18)28-14-12-27(13-15-28)11-2-3-16-30-20-9-7-19-8-10-24(29)26-22(19)17-20/h4-10,17H,2-3,11-16H2,1H3,(H,26,29)
InChIKeyWEFZNUHTBNRTIT-UHFFFAOYSA-N
XLogP4.47
TPSA48.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.96
LogP ≤ 54.47
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-[4-[4-[2-[(Z)-prop-1-enyl]phenyl]piperazin-1-yl]butoxy]-1H-quinolin-2-one
CID 135231666
7-[4-(4-methylpiperazin-1-yl)butoxy]-1H-quinolin-2-one
CID 172693991
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
2-[4-[4-[(2-oxo-1H-quinolin-7-yl)oxy]butyl]piperazin-1-yl]-6-propylsulfanylbenzaldehyde
CID 126748195
7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-1H-1,6-naphthyridin-2-one
CID 21073533
7-[4-[4-(2-propan-2-yloxyphenyl)-1,4-diazepan-1-yl]butoxy]-1H-quinolin-2-one
CID 56599011
7-[4-[4-(1-benzothiophen-4-yl)piperazin-1-yl]butoxy]-1H-quinolin-2-one;sulfuric acid
CID 66885812
N-methyl-4-[4-[4-[(2-oxo-1H-quinolin-7-yl)oxy]butyl]piperazin-1-yl]-1-benzothiophene-2-carboxamide
CID 141457591
7-[(Z)-4-[4-(2,3-dichlorophenyl)piperazin-1-yl]but-2-enoxy]-1H-quinolin-2-one
CID 11775114
7-[4-[4-[2-(1-benzothiophen-4-yl)-1-benzothiophen-4-yl]piperazin-1-yl]butoxy]-1H-quinolin-2-one
CID 169434962
7-[4-[4-(1-benzothiophen-4-yl)piperazin-1-yl]butoxy]-1-[4-[(2-oxo-1H-quinolin-7-yl)oxy]butyl]quinolin-2-one
CID 102602660

Frequently Asked Questions

What is the IUPAC name of 7-[4-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]butoxy]-1H-quinolin-2-one?
The IUPAC name of 7-[4-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]butoxy]-1H-quinolin-2-one (CID 10812321) is 7-[4-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]butoxy]-1H-quinolin-2-one.
What is the SMILES notation for 7-[4-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]butoxy]-1H-quinolin-2-one?
The canonical SMILES for 7-[4-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]butoxy]-1H-quinolin-2-one is Cc1c(Cl)cccc1N1CCN(CCCCOc2ccc3ccc(=O)[nH]c3c2)CC1.
What is the InChIKey of 7-[4-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]butoxy]-1H-quinolin-2-one?
The InChIKey is WEFZNUHTBNRTIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClN3O2/c1-18-21(25)5-4-6-23(18)28-14-12-27(13-15-28)11-2-3-16-30-20-9-7-19-8-10-24(29)26-22(19)17-20/h4-10,17H,2-3,11-16H2,1H3,(H,26,29).
What are the key properties of 7-[4-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]butoxy]-1H-quinolin-2-one?
7-[4-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]butoxy]-1H-quinolin-2-one has a molecular weight of 425.96 g/mol, XLogP of 4.47, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]butoxy]-1H-quinolin-2-one is sourced from PubChem (CID 10812321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).