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

C23H26N2O4S — CID 19030892

IUPAC1-[1-(2-methoxy-4-methylsulfinylbenzoyl)piperidin-4-yl]-3,4-dihydroquinolin-2-one
SMILESCOc1cc(S(C)=O)ccc1C(=O)N1CCC(N2C(=O)CCc3ccccc32)CC1
InChIInChI=1S/C23H26N2O4S/c1-29-21-15-18(30(2)28)8-9-19(21)23(27)24-13-11-17(12-14-24)25-20-6-4-3-5-16(20)7-10-22(25)26/h3-6,8-9,15,17H,7,10-14H2,1-2H3
InChIKeyRNCSAKUBJHZXKK-UHFFFAOYSA-N
MW426.54 g/mol
LogP3.02
Rot. Bonds4

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

1-[1-(2-methoxy-4-methylsulfinylbenzoyl)piperidin-4-yl]-3,4-dihydroquinolin-2-one (PubChem CID 19030892) has the molecular formula C23H26N2O4S and a molecular weight of 426.54 g/mol. Its IUPAC name is 1-[1-(2-methoxy-4-methylsulfinylbenzoyl)piperidin-4-yl]-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name1-[1-(2-methoxy-4-methylsulfinylbenzoyl)piperidin-4-yl]-3,4-dihydroquinolin-2-one
PubChem CID19030892
Molecular FormulaC23H26N2O4S
Molecular Weight426.54 g/mol
Exact Mass426.16
IUPAC Name1-[1-(2-methoxy-4-methylsulfinylbenzoyl)piperidin-4-yl]-3,4-dihydroquinolin-2-one
SMILESCOc1cc(S(C)=O)ccc1C(=O)N1CCC(N2C(=O)CCc3ccccc32)CC1
InChIInChI=1S/C23H26N2O4S/c1-29-21-15-18(30(2)28)8-9-19(21)23(27)24-13-11-17(12-14-24)25-20-6-4-3-5-16(20)7-10-22(25)26/h3-6,8-9,15,17H,7,10-14H2,1-2H3
InChIKeyRNCSAKUBJHZXKK-UHFFFAOYSA-N
XLogP3.02
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.54
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(4-ethoxy-2-methoxybenzoyl)piperidin-4-yl]-3,4-dihydroquinolin-2-one
CID 10454139
ethyl 5-[3-methoxy-4-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidine-1-carbonyl]phenoxy]pentanoate
CID 10553681
ethyl 4-[5-methoxy-2-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidine-1-carbonyl]phenoxy]butanoate
CID 10815061
1-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]-3,4-dihydroquinolin-2-one
CID 10642420
[3-acetyloxy-5-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidine-1-carbonyl]phenyl] acetate
CID 10694843
1-[1-(4-hydroxy-2-methoxybenzoyl)piperidin-4-yl]-4H-3,1-benzoxazin-2-one
CID 70065555
1-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]-3,4-dihydroquinolin-2-one
CID 10621180
3-amino-1-[1-(4-ethoxy-2-methoxybenzoyl)piperidin-4-yl]-3,4-dihydroquinolin-2-one
CID 18960742
4-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidine-1-carbonyl]benzaldehyde
CID 19030828
N-[2-[4-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidine-1-carbonyl]phenoxy]ethyl]acetamide
CID 14969551
ethyl 2-[5-methoxy-2-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidine-1-carbonyl]-N-phenylmethoxycarbonylanilino]acetate
CID 10841266
2-[4-(2-oxo-3H-indol-1-yl)piperidine-1-carbonyl]benzoic acid
CID 3701020

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methoxy-4-methylsulfinylbenzoyl)piperidin-4-yl]-3,4-dihydroquinolin-2-one?
The IUPAC name of 1-[1-(2-methoxy-4-methylsulfinylbenzoyl)piperidin-4-yl]-3,4-dihydroquinolin-2-one (CID 19030892) is 1-[1-(2-methoxy-4-methylsulfinylbenzoyl)piperidin-4-yl]-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 1-[1-(2-methoxy-4-methylsulfinylbenzoyl)piperidin-4-yl]-3,4-dihydroquinolin-2-one?
The canonical SMILES for 1-[1-(2-methoxy-4-methylsulfinylbenzoyl)piperidin-4-yl]-3,4-dihydroquinolin-2-one is COc1cc(S(C)=O)ccc1C(=O)N1CCC(N2C(=O)CCc3ccccc32)CC1.
What is the InChIKey of 1-[1-(2-methoxy-4-methylsulfinylbenzoyl)piperidin-4-yl]-3,4-dihydroquinolin-2-one?
The InChIKey is RNCSAKUBJHZXKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O4S/c1-29-21-15-18(30(2)28)8-9-19(21)23(27)24-13-11-17(12-14-24)25-20-6-4-3-5-16(20)7-10-22(25)26/h3-6,8-9,15,17H,7,10-14H2,1-2H3.
What are the key properties of 1-[1-(2-methoxy-4-methylsulfinylbenzoyl)piperidin-4-yl]-3,4-dihydroquinolin-2-one?
1-[1-(2-methoxy-4-methylsulfinylbenzoyl)piperidin-4-yl]-3,4-dihydroquinolin-2-one has a molecular weight of 426.54 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methoxy-4-methylsulfinylbenzoyl)piperidin-4-yl]-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 19030892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).