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

C20H18N2O5 — CID 127030954

IUPAC6-methoxy-3-[2-(7-methoxyquinolin-4-yl)oxyethyl]-1,3-benzoxazol-2-one
SMILESCOc1ccc2c(OCCn3c(=O)oc4cc(OC)ccc43)ccnc2c1
InChIInChI=1S/C20H18N2O5/c1-24-13-3-5-15-16(11-13)21-8-7-18(15)26-10-9-22-17-6-4-14(25-2)12-19(17)27-20(22)23/h3-8,11-12H,9-10H2,1-2H3
InChIKeyMLDIMXUBGVKFTF-UHFFFAOYSA-N
MW366.37 g/mol
LogP3.24
Rot. Bonds6

About 6-methoxy-3-[2-(7-methoxyquinolin-4-yl)oxyethyl]-1,3-benzoxazol-2-one

6-methoxy-3-[2-(7-methoxyquinolin-4-yl)oxyethyl]-1,3-benzoxazol-2-one (PubChem CID 127030954) has the molecular formula C20H18N2O5 and a molecular weight of 366.37 g/mol. Its IUPAC name is 6-methoxy-3-[2-(7-methoxyquinolin-4-yl)oxyethyl]-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name6-methoxy-3-[2-(7-methoxyquinolin-4-yl)oxyethyl]-1,3-benzoxazol-2-one
PubChem CID127030954
Molecular FormulaC20H18N2O5
Molecular Weight366.37 g/mol
Exact Mass366.12
IUPAC Name6-methoxy-3-[2-(7-methoxyquinolin-4-yl)oxyethyl]-1,3-benzoxazol-2-one
SMILESCOc1ccc2c(OCCn3c(=O)oc4cc(OC)ccc43)ccnc2c1
InChIInChI=1S/C20H18N2O5/c1-24-13-3-5-15-16(11-13)21-8-7-18(15)26-10-9-22-17-6-4-14(25-2)12-19(17)27-20(22)23/h3-8,11-12H,9-10H2,1-2H3
InChIKeyMLDIMXUBGVKFTF-UHFFFAOYSA-N
XLogP3.24
TPSA75.72 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.37
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-methoxy-3-[2-(7-methoxyquinolin-4-yl)oxyethyl]-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-methoxy-3-[2-(7-methoxyquinolin-4-yl)oxyethyl]-1,3-benzoxazol-2-one?
The IUPAC name of 6-methoxy-3-[2-(7-methoxyquinolin-4-yl)oxyethyl]-1,3-benzoxazol-2-one (CID 127030954) is 6-methoxy-3-[2-(7-methoxyquinolin-4-yl)oxyethyl]-1,3-benzoxazol-2-one.
What is the SMILES notation for 6-methoxy-3-[2-(7-methoxyquinolin-4-yl)oxyethyl]-1,3-benzoxazol-2-one?
The canonical SMILES for 6-methoxy-3-[2-(7-methoxyquinolin-4-yl)oxyethyl]-1,3-benzoxazol-2-one is COc1ccc2c(OCCn3c(=O)oc4cc(OC)ccc43)ccnc2c1.
What is the InChIKey of 6-methoxy-3-[2-(7-methoxyquinolin-4-yl)oxyethyl]-1,3-benzoxazol-2-one?
The InChIKey is MLDIMXUBGVKFTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O5/c1-24-13-3-5-15-16(11-13)21-8-7-18(15)26-10-9-22-17-6-4-14(25-2)12-19(17)27-20(22)23/h3-8,11-12H,9-10H2,1-2H3.
What are the key properties of 6-methoxy-3-[2-(7-methoxyquinolin-4-yl)oxyethyl]-1,3-benzoxazol-2-one?
6-methoxy-3-[2-(7-methoxyquinolin-4-yl)oxyethyl]-1,3-benzoxazol-2-one has a molecular weight of 366.37 g/mol, XLogP of 3.24, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3-[2-(7-methoxyquinolin-4-yl)oxyethyl]-1,3-benzoxazol-2-one is sourced from PubChem (CID 127030954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).