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

C19H17N3O4 — CID 127033397

IUPAC6-amino-3-[2-(7-methoxyquinolin-4-yl)oxyethyl]-1,3-benzoxazol-2-one
SMILESCOc1ccc2c(OCCn3c(=O)oc4cc(N)ccc43)ccnc2c1
InChIInChI=1S/C19H17N3O4/c1-24-13-3-4-14-15(11-13)21-7-6-17(14)25-9-8-22-16-5-2-12(20)10-18(16)26-19(22)23/h2-7,10-11H,8-9,20H2,1H3
InChIKeyDPJVLCNBELPWBX-UHFFFAOYSA-N
MW351.36 g/mol
LogP2.81
Rot. Bonds5

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

6-amino-3-[2-(7-methoxyquinolin-4-yl)oxyethyl]-1,3-benzoxazol-2-one (PubChem CID 127033397) has the molecular formula C19H17N3O4 and a molecular weight of 351.36 g/mol. Its IUPAC name is 6-amino-3-[2-(7-methoxyquinolin-4-yl)oxyethyl]-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name6-amino-3-[2-(7-methoxyquinolin-4-yl)oxyethyl]-1,3-benzoxazol-2-one
PubChem CID127033397
Molecular FormulaC19H17N3O4
Molecular Weight351.36 g/mol
Exact Mass351.12
IUPAC Name6-amino-3-[2-(7-methoxyquinolin-4-yl)oxyethyl]-1,3-benzoxazol-2-one
SMILESCOc1ccc2c(OCCn3c(=O)oc4cc(N)ccc43)ccnc2c1
InChIInChI=1S/C19H17N3O4/c1-24-13-3-4-14-15(11-13)21-7-6-17(14)25-9-8-22-16-5-2-12(20)10-18(16)26-19(22)23/h2-7,10-11H,8-9,20H2,1H3
InChIKeyDPJVLCNBELPWBX-UHFFFAOYSA-N
XLogP2.81
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 6-amino-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-amino-3-[2-(7-methoxyquinolin-4-yl)oxyethyl]-1,3-benzoxazol-2-one?
The IUPAC name of 6-amino-3-[2-(7-methoxyquinolin-4-yl)oxyethyl]-1,3-benzoxazol-2-one (CID 127033397) is 6-amino-3-[2-(7-methoxyquinolin-4-yl)oxyethyl]-1,3-benzoxazol-2-one.
What is the SMILES notation for 6-amino-3-[2-(7-methoxyquinolin-4-yl)oxyethyl]-1,3-benzoxazol-2-one?
The canonical SMILES for 6-amino-3-[2-(7-methoxyquinolin-4-yl)oxyethyl]-1,3-benzoxazol-2-one is COc1ccc2c(OCCn3c(=O)oc4cc(N)ccc43)ccnc2c1.
What is the InChIKey of 6-amino-3-[2-(7-methoxyquinolin-4-yl)oxyethyl]-1,3-benzoxazol-2-one?
The InChIKey is DPJVLCNBELPWBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O4/c1-24-13-3-4-14-15(11-13)21-7-6-17(14)25-9-8-22-16-5-2-12(20)10-18(16)26-19(22)23/h2-7,10-11H,8-9,20H2,1H3.
What are the key properties of 6-amino-3-[2-(7-methoxyquinolin-4-yl)oxyethyl]-1,3-benzoxazol-2-one?
6-amino-3-[2-(7-methoxyquinolin-4-yl)oxyethyl]-1,3-benzoxazol-2-one has a molecular weight of 351.36 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-[2-(7-methoxyquinolin-4-yl)oxyethyl]-1,3-benzoxazol-2-one is sourced from PubChem (CID 127033397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).