6-chloro-3-[(6-fluoroquinolin-8-yl)methyl]-1,3-benzoxazol-2-one

C17H10ClFN2O2 — CID 38830894

IUPAC6-chloro-3-[(6-fluoroquinolin-8-yl)methyl]-1,3-benzoxazol-2-one
SMILESO=c1oc2cc(Cl)ccc2n1Cc1cc(F)cc2cccnc12
InChIInChI=1S/C17H10ClFN2O2/c18-12-3-4-14-15(8-12)23-17(22)21(14)9-11-7-13(19)6-10-2-1-5-20-16(10)11/h1-8H,9H2
InChIKeyGNLNAADFSJJEAF-UHFFFAOYSA-N
MW328.73 g/mol
LogP3.98
Rot. Bonds2

About 6-chloro-3-[(6-fluoroquinolin-8-yl)methyl]-1,3-benzoxazol-2-one

6-chloro-3-[(6-fluoroquinolin-8-yl)methyl]-1,3-benzoxazol-2-one (PubChem CID 38830894) has the molecular formula C17H10ClFN2O2 and a molecular weight of 328.73 g/mol. Its IUPAC name is 6-chloro-3-[(6-fluoroquinolin-8-yl)methyl]-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name6-chloro-3-[(6-fluoroquinolin-8-yl)methyl]-1,3-benzoxazol-2-one
PubChem CID38830894
Molecular FormulaC17H10ClFN2O2
Molecular Weight328.73 g/mol
Exact Mass328.04
IUPAC Name6-chloro-3-[(6-fluoroquinolin-8-yl)methyl]-1,3-benzoxazol-2-one
SMILESO=c1oc2cc(Cl)ccc2n1Cc1cc(F)cc2cccnc12
InChIInChI=1S/C17H10ClFN2O2/c18-12-3-4-14-15(8-12)23-17(22)21(14)9-11-7-13(19)6-10-2-1-5-20-16(10)11/h1-8H,9H2
InChIKeyGNLNAADFSJJEAF-UHFFFAOYSA-N
XLogP3.98
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.73
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[(6-fluoroquinolin-8-yl)methyl]-1,3-benzoxazol-2-one?
The IUPAC name of 6-chloro-3-[(6-fluoroquinolin-8-yl)methyl]-1,3-benzoxazol-2-one (CID 38830894) is 6-chloro-3-[(6-fluoroquinolin-8-yl)methyl]-1,3-benzoxazol-2-one.
What is the SMILES notation for 6-chloro-3-[(6-fluoroquinolin-8-yl)methyl]-1,3-benzoxazol-2-one?
The canonical SMILES for 6-chloro-3-[(6-fluoroquinolin-8-yl)methyl]-1,3-benzoxazol-2-one is O=c1oc2cc(Cl)ccc2n1Cc1cc(F)cc2cccnc12.
What is the InChIKey of 6-chloro-3-[(6-fluoroquinolin-8-yl)methyl]-1,3-benzoxazol-2-one?
The InChIKey is GNLNAADFSJJEAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10ClFN2O2/c18-12-3-4-14-15(8-12)23-17(22)21(14)9-11-7-13(19)6-10-2-1-5-20-16(10)11/h1-8H,9H2.
What are the key properties of 6-chloro-3-[(6-fluoroquinolin-8-yl)methyl]-1,3-benzoxazol-2-one?
6-chloro-3-[(6-fluoroquinolin-8-yl)methyl]-1,3-benzoxazol-2-one has a molecular weight of 328.73 g/mol, XLogP of 3.98, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[(6-fluoroquinolin-8-yl)methyl]-1,3-benzoxazol-2-one is sourced from PubChem (CID 38830894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).