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

C17H16N2O5S — CID 17467876

IUPAC6-[(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-3H-1,3-benzoxazol-2-one
SMILESCOc1ccc2c(c1)CCCN2S(=O)(=O)c1ccc2[nH]c(=O)oc2c1
InChIInChI=1S/C17H16N2O5S/c1-23-12-4-7-15-11(9-12)3-2-8-19(15)25(21,22)13-5-6-14-16(10-13)24-17(20)18-14/h4-7,9-10H,2-3,8H2,1H3,(H,18,20)
InChIKeyMAMAPBWZZDWPFZ-UHFFFAOYSA-N
MW360.39 g/mol
LogP2.27
Rot. Bonds3

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

6-[(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-3H-1,3-benzoxazol-2-one (PubChem CID 17467876) has the molecular formula C17H16N2O5S and a molecular weight of 360.39 g/mol. Its IUPAC name is 6-[(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name6-[(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-3H-1,3-benzoxazol-2-one
PubChem CID17467876
Molecular FormulaC17H16N2O5S
Molecular Weight360.39 g/mol
Exact Mass360.08
IUPAC Name6-[(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-3H-1,3-benzoxazol-2-one
SMILESCOc1ccc2c(c1)CCCN2S(=O)(=O)c1ccc2[nH]c(=O)oc2c1
InChIInChI=1S/C17H16N2O5S/c1-23-12-4-7-15-11(9-12)3-2-8-19(15)25(21,22)13-5-6-14-16(10-13)24-17(20)18-14/h4-7,9-10H,2-3,8H2,1H3,(H,18,20)
InChIKeyMAMAPBWZZDWPFZ-UHFFFAOYSA-N
XLogP2.27
TPSA92.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.39
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-3H-1,3-benzoxazol-2-one?
The IUPAC name of 6-[(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-3H-1,3-benzoxazol-2-one (CID 17467876) is 6-[(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 6-[(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 6-[(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-3H-1,3-benzoxazol-2-one is COc1ccc2c(c1)CCCN2S(=O)(=O)c1ccc2[nH]c(=O)oc2c1.
What is the InChIKey of 6-[(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-3H-1,3-benzoxazol-2-one?
The InChIKey is MAMAPBWZZDWPFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O5S/c1-23-12-4-7-15-11(9-12)3-2-8-19(15)25(21,22)13-5-6-14-16(10-13)24-17(20)18-14/h4-7,9-10H,2-3,8H2,1H3,(H,18,20).
What are the key properties of 6-[(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-3H-1,3-benzoxazol-2-one?
6-[(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-3H-1,3-benzoxazol-2-one has a molecular weight of 360.39 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 17467876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).