5-chloro-1-(1-quinolin-6-ylsulfonylpiperidin-4-yl)-4H-3,1-benzoxazin-2-one

C22H20ClN3O4S — CID 69028522

IUPAC5-chloro-1-(1-quinolin-6-ylsulfonylpiperidin-4-yl)-4H-3,1-benzoxazin-2-one
SMILESO=C1OCc2c(Cl)cccc2N1C1CCN(S(=O)(=O)c2ccc3ncccc3c2)CC1
InChIInChI=1S/C22H20ClN3O4S/c23-19-4-1-5-21-18(19)14-30-22(27)26(21)16-8-11-25(12-9-16)31(28,29)17-6-7-20-15(13-17)3-2-10-24-20/h1-7,10,13,16H,8-9,11-12,14H2
InChIKeyRFWBLZXAURVOSB-UHFFFAOYSA-N
MW457.94 g/mol
LogP4.20
Rot. Bonds3

About 5-chloro-1-(1-quinolin-6-ylsulfonylpiperidin-4-yl)-4H-3,1-benzoxazin-2-one

5-chloro-1-(1-quinolin-6-ylsulfonylpiperidin-4-yl)-4H-3,1-benzoxazin-2-one (PubChem CID 69028522) has the molecular formula C22H20ClN3O4S and a molecular weight of 457.94 g/mol. Its IUPAC name is 5-chloro-1-(1-quinolin-6-ylsulfonylpiperidin-4-yl)-4H-3,1-benzoxazin-2-one.

Molecular Properties

Compound Name5-chloro-1-(1-quinolin-6-ylsulfonylpiperidin-4-yl)-4H-3,1-benzoxazin-2-one
PubChem CID69028522
Molecular FormulaC22H20ClN3O4S
Molecular Weight457.94 g/mol
Exact Mass457.09
IUPAC Name5-chloro-1-(1-quinolin-6-ylsulfonylpiperidin-4-yl)-4H-3,1-benzoxazin-2-one
SMILESO=C1OCc2c(Cl)cccc2N1C1CCN(S(=O)(=O)c2ccc3ncccc3c2)CC1
InChIInChI=1S/C22H20ClN3O4S/c23-19-4-1-5-21-18(19)14-30-22(27)26(21)16-8-11-25(12-9-16)31(28,29)17-6-7-20-15(13-17)3-2-10-24-20/h1-7,10,13,16H,8-9,11-12,14H2
InChIKeyRFWBLZXAURVOSB-UHFFFAOYSA-N
XLogP4.20
TPSA79.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.94
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-1-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)-4H-3,1-benzoxazin-2-one
CID 68530897
1-[1-(4-bromo-3-methylphenyl)sulfonylpiperidin-4-yl]-5-chloro-4H-3,1-benzoxazin-2-one
CID 68531356
1-[1-[4-bromo-3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]-5-chloro-4H-3,1-benzoxazin-2-one
CID 68531724
5-chloro-1-[1-(4-fluoronaphthalen-1-yl)sulfonylpiperidin-4-yl]-4H-3,1-benzoxazin-2-one
CID 68532698
N-[5-[4-(5-chloro-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide;methane
CID 87602795
5-chloro-1-[1-[(5-methyl-6H-[1,2]thiazolo[4,5-c]pyridin-4-yl)sulfonyl]piperidin-4-yl]-4H-3,1-benzoxazin-2-one
CID 90719882
3-[1-(3-chloro-4-methylphenyl)sulfonylpiperidin-4-yl]-1,3-oxazolidine-2,4-dione
CID 121156792
6-[[(1R,5S)-3-azabicyclo[3.2.0]heptan-3-yl]sulfonyl]quinoline
CID 167907378
1-[1-(4-chloro-3-nitrosophenyl)sulfonylpiperidin-4-yl]-4H-3,1-benzoxazin-2-one
CID 89174918
3-[1-(3-methylphenyl)sulfonylpiperidin-4-yl]-1,3-oxazolidine-2,4-dione
CID 121156763
1-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]-4H-3,1-benzoxazin-2-one
CID 58792794
5-chloro-1-[1-[(5-methyl-2H-[1,2,5]thiadiazolo[2,3-a]pyridin-4-yl)sulfonyl]piperidin-4-yl]-4H-3,1-benzoxazin-2-one
CID 68531275

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-(1-quinolin-6-ylsulfonylpiperidin-4-yl)-4H-3,1-benzoxazin-2-one?
The IUPAC name of 5-chloro-1-(1-quinolin-6-ylsulfonylpiperidin-4-yl)-4H-3,1-benzoxazin-2-one (CID 69028522) is 5-chloro-1-(1-quinolin-6-ylsulfonylpiperidin-4-yl)-4H-3,1-benzoxazin-2-one.
What is the SMILES notation for 5-chloro-1-(1-quinolin-6-ylsulfonylpiperidin-4-yl)-4H-3,1-benzoxazin-2-one?
The canonical SMILES for 5-chloro-1-(1-quinolin-6-ylsulfonylpiperidin-4-yl)-4H-3,1-benzoxazin-2-one is O=C1OCc2c(Cl)cccc2N1C1CCN(S(=O)(=O)c2ccc3ncccc3c2)CC1.
What is the InChIKey of 5-chloro-1-(1-quinolin-6-ylsulfonylpiperidin-4-yl)-4H-3,1-benzoxazin-2-one?
The InChIKey is RFWBLZXAURVOSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN3O4S/c23-19-4-1-5-21-18(19)14-30-22(27)26(21)16-8-11-25(12-9-16)31(28,29)17-6-7-20-15(13-17)3-2-10-24-20/h1-7,10,13,16H,8-9,11-12,14H2.
What are the key properties of 5-chloro-1-(1-quinolin-6-ylsulfonylpiperidin-4-yl)-4H-3,1-benzoxazin-2-one?
5-chloro-1-(1-quinolin-6-ylsulfonylpiperidin-4-yl)-4H-3,1-benzoxazin-2-one has a molecular weight of 457.94 g/mol, XLogP of 4.20, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-(1-quinolin-6-ylsulfonylpiperidin-4-yl)-4H-3,1-benzoxazin-2-one is sourced from PubChem (CID 69028522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).