6-[(6-chloro-4-oxo-2,3-dihydroquinolin-1-yl)sulfonyl]-3-methyl-1,3-benzoxazol-2-one

C17H13ClN2O5S — CID 110635033

IUPAC6-[(6-chloro-4-oxo-2,3-dihydroquinolin-1-yl)sulfonyl]-3-methyl-1,3-benzoxazol-2-one
SMILESCn1c(=O)oc2cc(S(=O)(=O)N3CCC(=O)c4cc(Cl)ccc43)ccc21
InChIInChI=1S/C17H13ClN2O5S/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/h2-5,8-9H,6-7H2,1H3
InChIKeyWKMPWKBIWYWQBO-UHFFFAOYSA-N
MW392.82 g/mol
LogP2.57
Rot. Bonds2

About 6-[(6-chloro-4-oxo-2,3-dihydroquinolin-1-yl)sulfonyl]-3-methyl-1,3-benzoxazol-2-one

6-[(6-chloro-4-oxo-2,3-dihydroquinolin-1-yl)sulfonyl]-3-methyl-1,3-benzoxazol-2-one (PubChem CID 110635033) has the molecular formula C17H13ClN2O5S and a molecular weight of 392.82 g/mol. Its IUPAC name is 6-[(6-chloro-4-oxo-2,3-dihydroquinolin-1-yl)sulfonyl]-3-methyl-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name6-[(6-chloro-4-oxo-2,3-dihydroquinolin-1-yl)sulfonyl]-3-methyl-1,3-benzoxazol-2-one
PubChem CID110635033
Molecular FormulaC17H13ClN2O5S
Molecular Weight392.82 g/mol
Exact Mass392.02
IUPAC Name6-[(6-chloro-4-oxo-2,3-dihydroquinolin-1-yl)sulfonyl]-3-methyl-1,3-benzoxazol-2-one
SMILESCn1c(=O)oc2cc(S(=O)(=O)N3CCC(=O)c4cc(Cl)ccc43)ccc21
InChIInChI=1S/C17H13ClN2O5S/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/h2-5,8-9H,6-7H2,1H3
InChIKeyWKMPWKBIWYWQBO-UHFFFAOYSA-N
XLogP2.57
TPSA89.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.82
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-[(6-chloro-4-oxo-2,3-dihydroquinolin-1-yl)sulfonyl]-3-methyl-1,3-benzoxazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[(6-chloro-4-oxo-2,3-dihydroquinolin-1-yl)sulfonyl]-3-methyl-1,3-benzoxazol-2-one?
The IUPAC name of 6-[(6-chloro-4-oxo-2,3-dihydroquinolin-1-yl)sulfonyl]-3-methyl-1,3-benzoxazol-2-one (CID 110635033) is 6-[(6-chloro-4-oxo-2,3-dihydroquinolin-1-yl)sulfonyl]-3-methyl-1,3-benzoxazol-2-one.
What is the SMILES notation for 6-[(6-chloro-4-oxo-2,3-dihydroquinolin-1-yl)sulfonyl]-3-methyl-1,3-benzoxazol-2-one?
The canonical SMILES for 6-[(6-chloro-4-oxo-2,3-dihydroquinolin-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-oxo-2,3-dihydroquinolin-1-yl)sulfonyl]-3-methyl-1,3-benzoxazol-2-one?
The InChIKey is WKMPWKBIWYWQBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O5S/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/h2-5,8-9H,6-7H2,1H3.
What are the key properties of 6-[(6-chloro-4-oxo-2,3-dihydroquinolin-1-yl)sulfonyl]-3-methyl-1,3-benzoxazol-2-one?
6-[(6-chloro-4-oxo-2,3-dihydroquinolin-1-yl)sulfonyl]-3-methyl-1,3-benzoxazol-2-one has a molecular weight of 392.82 g/mol, XLogP of 2.57, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(6-chloro-4-oxo-2,3-dihydroquinolin-1-yl)sulfonyl]-3-methyl-1,3-benzoxazol-2-one is sourced from PubChem (CID 110635033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).