6-[(6-chloro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-3-methyl-1,3-benzoxazol-2-one

C17H15ClN2O5S — CID 110636448

IUPAC6-[(6-chloro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-3-methyl-1,3-benzoxazol-2-one
SMILESCn1c(=O)oc2cc(S(=O)(=O)N3CCC(O)c4cc(Cl)ccc43)ccc21
InChIInChI=1S/C17H15ClN2O5S/c1-19-14-5-3-11(9-16(14)25-17(19)22)26(23,24)20-7-6-15(21)12-8-10(18)2-4-13(12)20/h2-5,8-9,15,21H,6-7H2,1H3
InChIKeyQHHSGYGNQDCJDL-UHFFFAOYSA-N
MW394.84 g/mol
LogP2.42
Rot. Bonds2

About 6-[(6-chloro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-3-methyl-1,3-benzoxazol-2-one

6-[(6-chloro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-3-methyl-1,3-benzoxazol-2-one (PubChem CID 110636448) has the molecular formula C17H15ClN2O5S and a molecular weight of 394.84 g/mol. Its IUPAC name is 6-[(6-chloro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-3-methyl-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name6-[(6-chloro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-3-methyl-1,3-benzoxazol-2-one
PubChem CID110636448
Molecular FormulaC17H15ClN2O5S
Molecular Weight394.84 g/mol
Exact Mass394.04
IUPAC Name6-[(6-chloro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-3-methyl-1,3-benzoxazol-2-one
SMILESCn1c(=O)oc2cc(S(=O)(=O)N3CCC(O)c4cc(Cl)ccc43)ccc21
InChIInChI=1S/C17H15ClN2O5S/c1-19-14-5-3-11(9-16(14)25-17(19)22)26(23,24)20-7-6-15(21)12-8-10(18)2-4-13(12)20/h2-5,8-9,15,21H,6-7H2,1H3
InChIKeyQHHSGYGNQDCJDL-UHFFFAOYSA-N
XLogP2.42
TPSA92.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.84
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-[(6-chloro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-3-methyl-1,3-benzoxazol-2-one with MolForge

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Related Compounds

6-[(6-chloro-4-oxo-2,3-dihydroquinolin-1-yl)sulfonyl]-3-methyl-1,3-benzoxazol-2-one
CID 110635033
6-chloro-1-(3,4-dimethoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-4-ol
CID 110636425
1-(benzenesulfonyl)-6-chloro-3,4-dihydro-2H-quinolin-4-ol
CID 110636408
6-[4-(4-chlorophenyl)piperazin-1-yl]sulfonyl-3-methyl-1,3-benzoxazol-2-one
CID 20858987
5-[(6-chloro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-1,3-dihydroindol-2-one
CID 110636453
6-chloro-1-[1-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]piperidin-4-yl]-4H-3,1-benzoxazin-2-one
CID 68530905
6-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]sulfonyl-3-methyl-1,3-benzoxazol-2-one
CID 79411361
6-(4-aminopiperidin-1-yl)sulfonyl-3-methyl-1,3-benzoxazol-2-one
CID 43556311
6-(3-hydroxyazetidin-1-yl)sulfonyl-3-methyl-1,3-benzoxazol-2-one
CID 55178205
6-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-3-methyl-1,3-benzoxazol-2-one
CID 667129
6-fluoro-1-(4-fluoro-3-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-4-ol
CID 110636585
6-chloro-3-methyl-1,3-benzoxazol-2-one
CID 843790

Frequently Asked Questions

What is the IUPAC name of 6-[(6-chloro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-3-methyl-1,3-benzoxazol-2-one?
The IUPAC name of 6-[(6-chloro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-3-methyl-1,3-benzoxazol-2-one (CID 110636448) is 6-[(6-chloro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-3-methyl-1,3-benzoxazol-2-one.
What is the SMILES notation for 6-[(6-chloro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-3-methyl-1,3-benzoxazol-2-one?
The canonical SMILES for 6-[(6-chloro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-3-methyl-1,3-benzoxazol-2-one is Cn1c(=O)oc2cc(S(=O)(=O)N3CCC(O)c4cc(Cl)ccc43)ccc21.
What is the InChIKey of 6-[(6-chloro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-3-methyl-1,3-benzoxazol-2-one?
The InChIKey is QHHSGYGNQDCJDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O5S/c1-19-14-5-3-11(9-16(14)25-17(19)22)26(23,24)20-7-6-15(21)12-8-10(18)2-4-13(12)20/h2-5,8-9,15,21H,6-7H2,1H3.
What are the key properties of 6-[(6-chloro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-3-methyl-1,3-benzoxazol-2-one?
6-[(6-chloro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-3-methyl-1,3-benzoxazol-2-one has a molecular weight of 394.84 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(6-chloro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-3-methyl-1,3-benzoxazol-2-one is sourced from PubChem (CID 110636448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).