3-[2-(7-methoxyquinolin-4-yl)oxyethyl]-5-methyl-1,3-benzoxazol-2-one

C20H18N2O4 — CID 127033117

IUPAC3-[2-(7-methoxyquinolin-4-yl)oxyethyl]-5-methyl-1,3-benzoxazol-2-one
SMILESCOc1ccc2c(OCCn3c(=O)oc4ccc(C)cc43)ccnc2c1
InChIInChI=1S/C20H18N2O4/c1-13-3-6-19-17(11-13)22(20(23)26-19)9-10-25-18-7-8-21-16-12-14(24-2)4-5-15(16)18/h3-8,11-12H,9-10H2,1-2H3
InChIKeyBIOCSXIFIFOWSS-UHFFFAOYSA-N
MW350.37 g/mol
LogP3.54
Rot. Bonds5

About 3-[2-(7-methoxyquinolin-4-yl)oxyethyl]-5-methyl-1,3-benzoxazol-2-one

3-[2-(7-methoxyquinolin-4-yl)oxyethyl]-5-methyl-1,3-benzoxazol-2-one (PubChem CID 127033117) has the molecular formula C20H18N2O4 and a molecular weight of 350.37 g/mol. Its IUPAC name is 3-[2-(7-methoxyquinolin-4-yl)oxyethyl]-5-methyl-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name3-[2-(7-methoxyquinolin-4-yl)oxyethyl]-5-methyl-1,3-benzoxazol-2-one
PubChem CID127033117
Molecular FormulaC20H18N2O4
Molecular Weight350.37 g/mol
Exact Mass350.13
IUPAC Name3-[2-(7-methoxyquinolin-4-yl)oxyethyl]-5-methyl-1,3-benzoxazol-2-one
SMILESCOc1ccc2c(OCCn3c(=O)oc4ccc(C)cc43)ccnc2c1
InChIInChI=1S/C20H18N2O4/c1-13-3-6-19-17(11-13)22(20(23)26-19)9-10-25-18-7-8-21-16-12-14(24-2)4-5-15(16)18/h3-8,11-12H,9-10H2,1-2H3
InChIKeyBIOCSXIFIFOWSS-UHFFFAOYSA-N
XLogP3.54
TPSA66.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(7-methoxyquinolin-4-yl)oxyethyl]-5-methyl-1,3-benzoxazol-2-one?
The IUPAC name of 3-[2-(7-methoxyquinolin-4-yl)oxyethyl]-5-methyl-1,3-benzoxazol-2-one (CID 127033117) is 3-[2-(7-methoxyquinolin-4-yl)oxyethyl]-5-methyl-1,3-benzoxazol-2-one.
What is the SMILES notation for 3-[2-(7-methoxyquinolin-4-yl)oxyethyl]-5-methyl-1,3-benzoxazol-2-one?
The canonical SMILES for 3-[2-(7-methoxyquinolin-4-yl)oxyethyl]-5-methyl-1,3-benzoxazol-2-one is COc1ccc2c(OCCn3c(=O)oc4ccc(C)cc43)ccnc2c1.
What is the InChIKey of 3-[2-(7-methoxyquinolin-4-yl)oxyethyl]-5-methyl-1,3-benzoxazol-2-one?
The InChIKey is BIOCSXIFIFOWSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O4/c1-13-3-6-19-17(11-13)22(20(23)26-19)9-10-25-18-7-8-21-16-12-14(24-2)4-5-15(16)18/h3-8,11-12H,9-10H2,1-2H3.
What are the key properties of 3-[2-(7-methoxyquinolin-4-yl)oxyethyl]-5-methyl-1,3-benzoxazol-2-one?
3-[2-(7-methoxyquinolin-4-yl)oxyethyl]-5-methyl-1,3-benzoxazol-2-one has a molecular weight of 350.37 g/mol, XLogP of 3.54, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(7-methoxyquinolin-4-yl)oxyethyl]-5-methyl-1,3-benzoxazol-2-one is sourced from PubChem (CID 127033117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).