6-methyl-3-[2-[7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyethyl]-1,3-benzoxazol-2-one

C26H29N3O5 — CID 127031933

IUPAC6-methyl-3-[2-[7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyethyl]-1,3-benzoxazol-2-one
SMILESCc1ccc2c(c1)oc(=O)n2CCOc1ccnc2cc(OCCCN3CCOCC3)ccc12
InChIInChI=1S/C26H29N3O5/c1-19-3-6-23-25(17-19)34-26(30)29(23)12-16-33-24-7-8-27-22-18-20(4-5-21(22)24)32-13-2-9-28-10-14-31-15-11-28/h3-8,17-18H,2,9-16H2,1H3
InChIKeyCIZWZXZZLNEBGA-UHFFFAOYSA-N
MW463.53 g/mol
LogP3.63
Rot. Bonds9

About 6-methyl-3-[2-[7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyethyl]-1,3-benzoxazol-2-one

6-methyl-3-[2-[7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyethyl]-1,3-benzoxazol-2-one (PubChem CID 127031933) has the molecular formula C26H29N3O5 and a molecular weight of 463.53 g/mol. Its IUPAC name is 6-methyl-3-[2-[7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyethyl]-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name6-methyl-3-[2-[7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyethyl]-1,3-benzoxazol-2-one
PubChem CID127031933
Molecular FormulaC26H29N3O5
Molecular Weight463.53 g/mol
Exact Mass463.21
IUPAC Name6-methyl-3-[2-[7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyethyl]-1,3-benzoxazol-2-one
SMILESCc1ccc2c(c1)oc(=O)n2CCOc1ccnc2cc(OCCCN3CCOCC3)ccc12
InChIInChI=1S/C26H29N3O5/c1-19-3-6-23-25(17-19)34-26(30)29(23)12-16-33-24-7-8-27-22-18-20(4-5-21(22)24)32-13-2-9-28-10-14-31-15-11-28/h3-8,17-18H,2,9-16H2,1H3
InChIKeyCIZWZXZZLNEBGA-UHFFFAOYSA-N
XLogP3.63
TPSA78.96 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.53
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-[2-[7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyethyl]-1,3-benzoxazol-2-one?
The IUPAC name of 6-methyl-3-[2-[7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyethyl]-1,3-benzoxazol-2-one (CID 127031933) is 6-methyl-3-[2-[7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyethyl]-1,3-benzoxazol-2-one.
What is the SMILES notation for 6-methyl-3-[2-[7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyethyl]-1,3-benzoxazol-2-one?
The canonical SMILES for 6-methyl-3-[2-[7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyethyl]-1,3-benzoxazol-2-one is Cc1ccc2c(c1)oc(=O)n2CCOc1ccnc2cc(OCCCN3CCOCC3)ccc12.
What is the InChIKey of 6-methyl-3-[2-[7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyethyl]-1,3-benzoxazol-2-one?
The InChIKey is CIZWZXZZLNEBGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O5/c1-19-3-6-23-25(17-19)34-26(30)29(23)12-16-33-24-7-8-27-22-18-20(4-5-21(22)24)32-13-2-9-28-10-14-31-15-11-28/h3-8,17-18H,2,9-16H2,1H3.
What are the key properties of 6-methyl-3-[2-[7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyethyl]-1,3-benzoxazol-2-one?
6-methyl-3-[2-[7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyethyl]-1,3-benzoxazol-2-one has a molecular weight of 463.53 g/mol, XLogP of 3.63, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-[2-[7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyethyl]-1,3-benzoxazol-2-one is sourced from PubChem (CID 127031933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).