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

C23H26N2O2 — CID 10642420

IUPAC1-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]-3,4-dihydroquinolin-2-one
SMILESCc1ccc(C(=O)N2CCC(N3C(=O)CCc4ccccc43)CC2)cc1C
InChIInChI=1S/C23H26N2O2/c1-16-7-8-19(15-17(16)2)23(27)24-13-11-20(12-14-24)25-21-6-4-3-5-18(21)9-10-22(25)26/h3-8,15,20H,9-14H2,1-2H3
InChIKeyKRMWJJDSEHCZDN-UHFFFAOYSA-N
MW362.47 g/mol
LogP3.89
Rot. Bonds2

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

1-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]-3,4-dihydroquinolin-2-one (PubChem CID 10642420) has the molecular formula C23H26N2O2 and a molecular weight of 362.47 g/mol. Its IUPAC name is 1-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name1-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]-3,4-dihydroquinolin-2-one
PubChem CID10642420
Molecular FormulaC23H26N2O2
Molecular Weight362.47 g/mol
Exact Mass362.20
IUPAC Name1-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]-3,4-dihydroquinolin-2-one
SMILESCc1ccc(C(=O)N2CCC(N3C(=O)CCc4ccccc43)CC2)cc1C
InChIInChI=1S/C23H26N2O2/c1-16-7-8-19(15-17(16)2)23(27)24-13-11-20(12-14-24)25-21-6-4-3-5-18(21)9-10-22(25)26/h3-8,15,20H,9-14H2,1-2H3
InChIKeyKRMWJJDSEHCZDN-UHFFFAOYSA-N
XLogP3.89
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]-3,4-dihydroquinolin-2-one
CID 10621180
4-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidine-1-carbonyl]benzaldehyde
CID 19030828
[3-acetyloxy-5-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidine-1-carbonyl]phenyl] acetate
CID 10694843
1-[1-(3-nitrobenzoyl)piperidin-4-yl]-3,4-dihydroquinolin-2-one
CID 14969519
N-[2-[4-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidine-1-carbonyl]phenoxy]ethyl]acetamide
CID 14969551
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
1-[1-(4-ethoxy-2-methoxybenzoyl)piperidin-4-yl]-3,4-dihydroquinolin-2-one
CID 10454139
2-acetamido-4-[4-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidine-1-carbonyl]phenoxy]butanoic acid
CID 15285178
2,3-dihydroindol-1-yl-(3,4-dimethylphenyl)methanone
CID 669367
1-[1-[4-(5-pyrrolidin-1-ylpentylsulfanyl)benzoyl]piperidin-4-yl]-3,4-dihydroquinolin-2-one
CID 19090016
2-acetamido-N-[3-[4-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidine-1-carbonyl]phenoxy]propyl]pentanamide
CID 19031213

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]-3,4-dihydroquinolin-2-one?
The IUPAC name of 1-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]-3,4-dihydroquinolin-2-one (CID 10642420) is 1-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 1-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]-3,4-dihydroquinolin-2-one?
The canonical SMILES for 1-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]-3,4-dihydroquinolin-2-one is Cc1ccc(C(=O)N2CCC(N3C(=O)CCc4ccccc43)CC2)cc1C.
What is the InChIKey of 1-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]-3,4-dihydroquinolin-2-one?
The InChIKey is KRMWJJDSEHCZDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O2/c1-16-7-8-19(15-17(16)2)23(27)24-13-11-20(12-14-24)25-21-6-4-3-5-18(21)9-10-22(25)26/h3-8,15,20H,9-14H2,1-2H3.
What are the key properties of 1-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]-3,4-dihydroquinolin-2-one?
1-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]-3,4-dihydroquinolin-2-one has a molecular weight of 362.47 g/mol, XLogP of 3.89, 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-dimethylbenzoyl)piperidin-4-yl]-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 10642420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).