1-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]-3,4-dihydroquinolin-2-one

C21H20Cl2N2O2 — CID 10621180

IUPAC1-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]-3,4-dihydroquinolin-2-one
SMILESO=C(c1ccc(Cl)c(Cl)c1)N1CCC(N2C(=O)CCc3ccccc32)CC1
InChIInChI=1S/C21H20Cl2N2O2/c22-17-7-5-15(13-18(17)23)21(27)24-11-9-16(10-12-24)25-19-4-2-1-3-14(19)6-8-20(25)26/h1-5,7,13,16H,6,8-12H2
InChIKeyAGLBWEVPDFBGNH-UHFFFAOYSA-N
MW403.31 g/mol
LogP4.58
Rot. Bonds2

About 1-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]-3,4-dihydroquinolin-2-one

1-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]-3,4-dihydroquinolin-2-one (PubChem CID 10621180) has the molecular formula C21H20Cl2N2O2 and a molecular weight of 403.31 g/mol. Its IUPAC name is 1-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name1-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]-3,4-dihydroquinolin-2-one
PubChem CID10621180
Molecular FormulaC21H20Cl2N2O2
Molecular Weight403.31 g/mol
Exact Mass402.09
IUPAC Name1-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]-3,4-dihydroquinolin-2-one
SMILESO=C(c1ccc(Cl)c(Cl)c1)N1CCC(N2C(=O)CCc3ccccc32)CC1
InChIInChI=1S/C21H20Cl2N2O2/c22-17-7-5-15(13-18(17)23)21(27)24-11-9-16(10-12-24)25-19-4-2-1-3-14(19)6-8-20(25)26/h1-5,7,13,16H,6,8-12H2
InChIKeyAGLBWEVPDFBGNH-UHFFFAOYSA-N
XLogP4.58
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.31
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]-3,4-dihydroquinolin-2-one
CID 10642420
4-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidine-1-carbonyl]benzaldehyde
CID 19030828
1-[1-(3-nitrobenzoyl)piperidin-4-yl]-3,4-dihydroquinolin-2-one
CID 14969519
[3-acetyloxy-5-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidine-1-carbonyl]phenyl] acetate
CID 10694843
N-[2-[4-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidine-1-carbonyl]phenoxy]ethyl]acetamide
CID 14969551
1-[1-[4-(5-pyrrolidin-1-ylpentylsulfanyl)benzoyl]piperidin-4-yl]-3,4-dihydroquinolin-2-one
CID 19090016
1-[1-(2-methoxy-4-methylsulfinylbenzoyl)piperidin-4-yl]-3,4-dihydroquinolin-2-one
CID 19030892
1-[1-[4-[7-(diethylamino)heptoxy]benzoyl]piperidin-4-yl]-3,4-dihydroquinolin-2-one
CID 19030830
2-acetamido-4-[4-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidine-1-carbonyl]phenoxy]butanoic acid
CID 15285178
1-[1-(3-fluorobenzoyl)piperidin-4-yl]pyrrolidine-2,5-dione
CID 113083054
1-(1-benzylpiperidin-4-yl)-3,4-dihydroquinolin-2-one
CID 10687182
1-[1-(4-ethoxy-2-methoxybenzoyl)piperidin-4-yl]-3,4-dihydroquinolin-2-one
CID 10454139

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]-3,4-dihydroquinolin-2-one?
The IUPAC name of 1-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]-3,4-dihydroquinolin-2-one (CID 10621180) is 1-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 1-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]-3,4-dihydroquinolin-2-one?
The canonical SMILES for 1-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]-3,4-dihydroquinolin-2-one is O=C(c1ccc(Cl)c(Cl)c1)N1CCC(N2C(=O)CCc3ccccc32)CC1.
What is the InChIKey of 1-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]-3,4-dihydroquinolin-2-one?
The InChIKey is AGLBWEVPDFBGNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20Cl2N2O2/c22-17-7-5-15(13-18(17)23)21(27)24-11-9-16(10-12-24)25-19-4-2-1-3-14(19)6-8-20(25)26/h1-5,7,13,16H,6,8-12H2.
What are the key properties of 1-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]-3,4-dihydroquinolin-2-one?
1-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]-3,4-dihydroquinolin-2-one has a molecular weight of 403.31 g/mol, XLogP of 4.58, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 10621180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).