7-methoxy-3-[[(4-piperidin-1-ylsulfonylphenyl)methylamino]methyl]-1H-quinolin-2-one

C23H27N3O4S — CID 171536071

IUPAC7-methoxy-3-[[(4-piperidin-1-ylsulfonylphenyl)methylamino]methyl]-1H-quinolin-2-one
SMILESCOc1ccc2cc(CNCc3ccc(S(=O)(=O)N4CCCCC4)cc3)c(=O)[nH]c2c1
InChIInChI=1S/C23H27N3O4S/c1-30-20-8-7-18-13-19(23(27)25-22(18)14-20)16-24-15-17-5-9-21(10-6-17)31(28,29)26-11-3-2-4-12-26/h5-10,13-14,24H,2-4,11-12,15-16H2,1H3,(H,25,27)
InChIKeyXTSJOENWHDDJFH-UHFFFAOYSA-N
MW441.55 g/mol
LogP3.00
Rot. Bonds7

About 7-methoxy-3-[[(4-piperidin-1-ylsulfonylphenyl)methylamino]methyl]-1H-quinolin-2-one

7-methoxy-3-[[(4-piperidin-1-ylsulfonylphenyl)methylamino]methyl]-1H-quinolin-2-one (PubChem CID 171536071) has the molecular formula C23H27N3O4S and a molecular weight of 441.55 g/mol. Its IUPAC name is 7-methoxy-3-[[(4-piperidin-1-ylsulfonylphenyl)methylamino]methyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name7-methoxy-3-[[(4-piperidin-1-ylsulfonylphenyl)methylamino]methyl]-1H-quinolin-2-one
PubChem CID171536071
Molecular FormulaC23H27N3O4S
Molecular Weight441.55 g/mol
Exact Mass441.17
IUPAC Name7-methoxy-3-[[(4-piperidin-1-ylsulfonylphenyl)methylamino]methyl]-1H-quinolin-2-one
SMILESCOc1ccc2cc(CNCc3ccc(S(=O)(=O)N4CCCCC4)cc3)c(=O)[nH]c2c1
InChIInChI=1S/C23H27N3O4S/c1-30-20-8-7-18-13-19(23(27)25-22(18)14-20)16-24-15-17-5-9-21(10-6-17)31(28,29)26-11-3-2-4-12-26/h5-10,13-14,24H,2-4,11-12,15-16H2,1H3,(H,25,27)
InChIKeyXTSJOENWHDDJFH-UHFFFAOYSA-N
XLogP3.00
TPSA91.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.55
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 7-methoxy-3-[[(4-piperidin-1-ylsulfonylphenyl)methylamino]methyl]-1H-quinolin-2-one with MolForge

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Related Compounds

1-[(4-methoxyphenyl)methyl]-2-methyl-3-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]guanidine;hydroiodide
CID 111181910
N-[(4-methoxyphenyl)methyl]-5-piperidin-1-ylsulfonylpyridin-1-ium-2-amine
CID 9282043
(3S)-1-(4-methoxyphenyl)sulfonyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]piperidine-3-carboxamide
CID 94861827
1-(2,5-dimethoxyphenyl)sulfonyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]piperidine-4-carboxamide
CID 43874841
2-(4-chlorophenyl)-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]acetamide
CID 110324770
7-methoxy-3-[[[(1S,2S)-2-methylcyclohexyl]amino]methyl]-1H-quinolin-2-one
CID 864655
2-[(4-methoxyphenyl)methylamino]-1-(3-pyrrolidin-1-ylsulfonylphenyl)ethanone
CID 110824502
N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]morpholine-4-carboxamide
CID 110324806
4-(azepan-1-ylsulfonyl)-N-(3-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 1448179
N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 4625523
N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-nitrobenzenesulfonamide
CID 110324856
2-(4-ethoxyphenyl)-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]acetamide
CID 110324772

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-3-[[(4-piperidin-1-ylsulfonylphenyl)methylamino]methyl]-1H-quinolin-2-one?
The IUPAC name of 7-methoxy-3-[[(4-piperidin-1-ylsulfonylphenyl)methylamino]methyl]-1H-quinolin-2-one (CID 171536071) is 7-methoxy-3-[[(4-piperidin-1-ylsulfonylphenyl)methylamino]methyl]-1H-quinolin-2-one.
What is the SMILES notation for 7-methoxy-3-[[(4-piperidin-1-ylsulfonylphenyl)methylamino]methyl]-1H-quinolin-2-one?
The canonical SMILES for 7-methoxy-3-[[(4-piperidin-1-ylsulfonylphenyl)methylamino]methyl]-1H-quinolin-2-one is COc1ccc2cc(CNCc3ccc(S(=O)(=O)N4CCCCC4)cc3)c(=O)[nH]c2c1.
What is the InChIKey of 7-methoxy-3-[[(4-piperidin-1-ylsulfonylphenyl)methylamino]methyl]-1H-quinolin-2-one?
The InChIKey is XTSJOENWHDDJFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O4S/c1-30-20-8-7-18-13-19(23(27)25-22(18)14-20)16-24-15-17-5-9-21(10-6-17)31(28,29)26-11-3-2-4-12-26/h5-10,13-14,24H,2-4,11-12,15-16H2,1H3,(H,25,27).
What are the key properties of 7-methoxy-3-[[(4-piperidin-1-ylsulfonylphenyl)methylamino]methyl]-1H-quinolin-2-one?
7-methoxy-3-[[(4-piperidin-1-ylsulfonylphenyl)methylamino]methyl]-1H-quinolin-2-one has a molecular weight of 441.55 g/mol, XLogP of 3.00, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-3-[[(4-piperidin-1-ylsulfonylphenyl)methylamino]methyl]-1H-quinolin-2-one is sourced from PubChem (CID 171536071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).