8-methyl-1-(1-quinolin-8-ylsulfonylpiperidin-4-yl)-4H-3,1-benzoxazin-2-one

C23H23N3O4S — CID 11270546

IUPAC8-methyl-1-(1-quinolin-8-ylsulfonylpiperidin-4-yl)-4H-3,1-benzoxazin-2-one
SMILESCc1cccc2c1N(C1CCN(S(=O)(=O)c3cccc4cccnc34)CC1)C(=O)OC2
InChIInChI=1S/C23H23N3O4S/c1-16-5-2-7-18-15-30-23(27)26(22(16)18)19-10-13-25(14-11-19)31(28,29)20-9-3-6-17-8-4-12-24-21(17)20/h2-9,12,19H,10-11,13-15H2,1H3
InChIKeyDQHYACPHPIYGQQ-UHFFFAOYSA-N
MW437.52 g/mol
LogP3.85
Rot. Bonds3

About 8-methyl-1-(1-quinolin-8-ylsulfonylpiperidin-4-yl)-4H-3,1-benzoxazin-2-one

8-methyl-1-(1-quinolin-8-ylsulfonylpiperidin-4-yl)-4H-3,1-benzoxazin-2-one (PubChem CID 11270546) has the molecular formula C23H23N3O4S and a molecular weight of 437.52 g/mol. Its IUPAC name is 8-methyl-1-(1-quinolin-8-ylsulfonylpiperidin-4-yl)-4H-3,1-benzoxazin-2-one.

Molecular Properties

Compound Name8-methyl-1-(1-quinolin-8-ylsulfonylpiperidin-4-yl)-4H-3,1-benzoxazin-2-one
PubChem CID11270546
Molecular FormulaC23H23N3O4S
Molecular Weight437.52 g/mol
Exact Mass437.14
IUPAC Name8-methyl-1-(1-quinolin-8-ylsulfonylpiperidin-4-yl)-4H-3,1-benzoxazin-2-one
SMILESCc1cccc2c1N(C1CCN(S(=O)(=O)c3cccc4cccnc34)CC1)C(=O)OC2
InChIInChI=1S/C23H23N3O4S/c1-16-5-2-7-18-15-30-23(27)26(22(16)18)19-10-13-25(14-11-19)31(28,29)20-9-3-6-17-8-4-12-24-21(17)20/h2-9,12,19H,10-11,13-15H2,1H3
InChIKeyDQHYACPHPIYGQQ-UHFFFAOYSA-N
XLogP3.85
TPSA79.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.52
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 8-methyl-1-(1-quinolin-8-ylsulfonylpiperidin-4-yl)-4H-3,1-benzoxazin-2-one with MolForge

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Launch Full Analysis

Related Compounds

1-[1-(Quinoline-8-sulfonyl)-piperidin-4-yl]-1,4-dihydro-benzo[d][1,3]oxazin-2-one
CID 11384694
Benzyl 4-(5-isoquinolylsulfonyl)piperazine-1-carboxylate
CID 134108755
4-(Quinoline-8-sulfonyl)-piperazine-1-carboxylic acid ethyl ester
CID 648962
Ethyl 4-(quinolin-8-ylsulfonylamino)piperidine-1-carboxylate
CID 172437173
8-[4-[2-[Phenyl-[3-(trifluoromethyl)phenyl]methoxy]ethyl]piperazin-1-yl]sulfonylquinoline
CID 46102556
6,7-difluoro-1-(1-quinolin-8-ylsulfonylpiperidin-4-yl)-4H-3,1-benzoxazin-2-one
CID 68526298
6-fluoro-1-(1-isoquinolin-5-ylsulfonylpiperidin-4-yl)-4H-3,1-benzoxazin-2-one
CID 68527209
6,7-difluoro-1-[1-(3-methylquinolin-8-yl)sulfonylpiperidin-4-yl]-4H-3,1-benzoxazin-2-one
CID 68527251
6-fluoro-1-[1-(3-methylquinolin-8-yl)sulfonylpiperidin-4-yl]-4H-3,1-benzoxazin-2-one
CID 68528491
6-fluoro-1-(1-quinolin-8-ylsulfonylpiperidin-4-yl)-4H-3,1-benzoxazin-2-one
CID 68530921
Benzyl 4-[3-[3-[8-(trifluoromethyl)quinolin-4-yl]phenyl]phenyl]sulfonylpiperidine-1-carboxylate
CID 68877708
6-fluoro-1-[1-(3-methylquinolin-6-yl)sulfonylpiperidin-4-yl]-4H-3,1-benzoxazin-2-one
CID 69027379

Frequently Asked Questions

What is the IUPAC name of 8-methyl-1-(1-quinolin-8-ylsulfonylpiperidin-4-yl)-4H-3,1-benzoxazin-2-one?
The IUPAC name of 8-methyl-1-(1-quinolin-8-ylsulfonylpiperidin-4-yl)-4H-3,1-benzoxazin-2-one (CID 11270546) is 8-methyl-1-(1-quinolin-8-ylsulfonylpiperidin-4-yl)-4H-3,1-benzoxazin-2-one.
What is the SMILES notation for 8-methyl-1-(1-quinolin-8-ylsulfonylpiperidin-4-yl)-4H-3,1-benzoxazin-2-one?
The canonical SMILES for 8-methyl-1-(1-quinolin-8-ylsulfonylpiperidin-4-yl)-4H-3,1-benzoxazin-2-one is Cc1cccc2c1N(C1CCN(S(=O)(=O)c3cccc4cccnc34)CC1)C(=O)OC2.
What is the InChIKey of 8-methyl-1-(1-quinolin-8-ylsulfonylpiperidin-4-yl)-4H-3,1-benzoxazin-2-one?
The InChIKey is DQHYACPHPIYGQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O4S/c1-16-5-2-7-18-15-30-23(27)26(22(16)18)19-10-13-25(14-11-19)31(28,29)20-9-3-6-17-8-4-12-24-21(17)20/h2-9,12,19H,10-11,13-15H2,1H3.
What are the key properties of 8-methyl-1-(1-quinolin-8-ylsulfonylpiperidin-4-yl)-4H-3,1-benzoxazin-2-one?
8-methyl-1-(1-quinolin-8-ylsulfonylpiperidin-4-yl)-4H-3,1-benzoxazin-2-one has a molecular weight of 437.52 g/mol, XLogP of 3.85, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-1-(1-quinolin-8-ylsulfonylpiperidin-4-yl)-4H-3,1-benzoxazin-2-one is sourced from PubChem (CID 11270546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).