[1-[(2,4-dichlorophenyl)methyl]piperidin-4-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone

C22H24Cl2N2O — CID 38106183

IUPAC[1-[(2,4-dichlorophenyl)methyl]piperidin-4-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESO=C(C1CCN(Cc2ccc(Cl)cc2Cl)CC1)N1CCCc2ccccc21
InChIInChI=1S/C22H24Cl2N2O/c23-19-8-7-18(20(24)14-19)15-25-12-9-17(10-13-25)22(27)26-11-3-5-16-4-1-2-6-21(16)26/h1-2,4,6-8,14,17H,3,5,9-13,15H2
InChIKeyPLLRYIVSPWMEED-UHFFFAOYSA-N
MW403.35 g/mol
LogP5.18
Rot. Bonds3

About [1-[(2,4-dichlorophenyl)methyl]piperidin-4-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone

[1-[(2,4-dichlorophenyl)methyl]piperidin-4-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone (PubChem CID 38106183) has the molecular formula C22H24Cl2N2O and a molecular weight of 403.35 g/mol. Its IUPAC name is [1-[(2,4-dichlorophenyl)methyl]piperidin-4-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone.

Molecular Properties

Compound Name[1-[(2,4-dichlorophenyl)methyl]piperidin-4-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
PubChem CID38106183
Molecular FormulaC22H24Cl2N2O
Molecular Weight403.35 g/mol
Exact Mass402.13
IUPAC Name[1-[(2,4-dichlorophenyl)methyl]piperidin-4-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESO=C(C1CCN(Cc2ccc(Cl)cc2Cl)CC1)N1CCCc2ccccc21
InChIInChI=1S/C22H24Cl2N2O/c23-19-8-7-18(20(24)14-19)15-25-12-9-17(10-13-25)22(27)26-11-3-5-16-4-1-2-6-21(16)26/h1-2,4,6-8,14,17H,3,5,9-13,15H2
InChIKeyPLLRYIVSPWMEED-UHFFFAOYSA-N
XLogP5.18
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.35
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(4-Chloro-benzyl)-piperazin-1-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)-ethanone
CID 9843031
3-[4-(4-Chloro-benzyl)-piperazin-1-yl]-1-methyl-3,4-dihydro-1H-quinolin-2-one
CID 9951233
1-(4-(((3S,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-3-yl)methyl)piperazin-1-yl)ethanone
CID 46230070
1-(4-(((3S,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-3-yl)methyl)piperazin-1-yl)-3,3-dimethylbutan-1-one
CID 46230071
1-(2,4-Dichlorobenzoyl)-1,2,3,4-tetrahydroquinoline
CID 599544
3-[4-(4-Chloro-benzyl)-piperazin-1-yl]-1-ethyl-3,4-dihydro-1H-quinolin-2-one
CID 10045525
(4-chlorophenyl)[4-(3,4-dihydroquinolin-1(2H)-ylcarbonyl)piperidin-1-yl]methanone
CID 16487558
N-Phenyl-1-(4-chlorobenzyl)piperidine-4-carboxamide
CID 40921957
2-[4-(4-Chloro-benzyl)-piperazin-1-yl]-1-(2,2,4-trimethyl-3,4-dihydro-2H-quinolin-1-yl)-ethanone
CID 44335987
2-[4-(4-Chloro-benzyl)-piperazin-1-yl]-1-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-ethanone
CID 44336005
2-[4-(4-Chloro-benzyl)-piperazin-1-yl]-1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-ethanone
CID 44336055
(R)-1-(4-(2-((S)-1-amino-3-methylbutyl)phenyl)piperazin-1-yl)-3-(2,4-dichlorophenyl)-2-methylpropan-1-one
CID 44416201

Frequently Asked Questions

What is the IUPAC name of [1-[(2,4-dichlorophenyl)methyl]piperidin-4-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone?
The IUPAC name of [1-[(2,4-dichlorophenyl)methyl]piperidin-4-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone (CID 38106183) is [1-[(2,4-dichlorophenyl)methyl]piperidin-4-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone.
What is the SMILES notation for [1-[(2,4-dichlorophenyl)methyl]piperidin-4-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone?
The canonical SMILES for [1-[(2,4-dichlorophenyl)methyl]piperidin-4-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone is O=C(C1CCN(Cc2ccc(Cl)cc2Cl)CC1)N1CCCc2ccccc21.
What is the InChIKey of [1-[(2,4-dichlorophenyl)methyl]piperidin-4-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone?
The InChIKey is PLLRYIVSPWMEED-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24Cl2N2O/c23-19-8-7-18(20(24)14-19)15-25-12-9-17(10-13-25)22(27)26-11-3-5-16-4-1-2-6-21(16)26/h1-2,4,6-8,14,17H,3,5,9-13,15H2.
What are the key properties of [1-[(2,4-dichlorophenyl)methyl]piperidin-4-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone?
[1-[(2,4-dichlorophenyl)methyl]piperidin-4-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone has a molecular weight of 403.35 g/mol, XLogP of 5.18, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2,4-dichlorophenyl)methyl]piperidin-4-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone is sourced from PubChem (CID 38106183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).