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

C26H30N4O4 — CID 127030935

IUPAC6-methyl-3-[2-[7-(3-morpholin-4-ylpropylamino)quinolin-4-yl]oxyethyl]-1,3-benzoxazol-2-one
SMILESCc1ccc2c(c1)oc(=O)n2CCOc1ccnc2cc(NCCCN3CCOCC3)ccc12
InChIInChI=1S/C26H30N4O4/c1-19-3-6-23-25(17-19)34-26(31)30(23)13-16-33-24-7-9-28-22-18-20(4-5-21(22)24)27-8-2-10-29-11-14-32-15-12-29/h3-7,9,17-18,27H,2,8,10-16H2,1H3
InChIKeyHRMYECGXSNEINZ-UHFFFAOYSA-N
MW462.55 g/mol
LogP3.66
Rot. Bonds9

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

6-methyl-3-[2-[7-(3-morpholin-4-ylpropylamino)quinolin-4-yl]oxyethyl]-1,3-benzoxazol-2-one (PubChem CID 127030935) has the molecular formula C26H30N4O4 and a molecular weight of 462.55 g/mol. Its IUPAC name is 6-methyl-3-[2-[7-(3-morpholin-4-ylpropylamino)quinolin-4-yl]oxyethyl]-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name6-methyl-3-[2-[7-(3-morpholin-4-ylpropylamino)quinolin-4-yl]oxyethyl]-1,3-benzoxazol-2-one
PubChem CID127030935
Molecular FormulaC26H30N4O4
Molecular Weight462.55 g/mol
Exact Mass462.23
IUPAC Name6-methyl-3-[2-[7-(3-morpholin-4-ylpropylamino)quinolin-4-yl]oxyethyl]-1,3-benzoxazol-2-one
SMILESCc1ccc2c(c1)oc(=O)n2CCOc1ccnc2cc(NCCCN3CCOCC3)ccc12
InChIInChI=1S/C26H30N4O4/c1-19-3-6-23-25(17-19)34-26(31)30(23)13-16-33-24-7-9-28-22-18-20(4-5-21(22)24)27-8-2-10-29-11-14-32-15-12-29/h3-7,9,17-18,27H,2,8,10-16H2,1H3
InChIKeyHRMYECGXSNEINZ-UHFFFAOYSA-N
XLogP3.66
TPSA81.76 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.55
LogP ≤ 53.66
H-Bond Donors ≤ 51
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-ylpropylamino)quinolin-4-yl]oxyethyl]-1,3-benzoxazol-2-one?
The IUPAC name of 6-methyl-3-[2-[7-(3-morpholin-4-ylpropylamino)quinolin-4-yl]oxyethyl]-1,3-benzoxazol-2-one (CID 127030935) is 6-methyl-3-[2-[7-(3-morpholin-4-ylpropylamino)quinolin-4-yl]oxyethyl]-1,3-benzoxazol-2-one.
What is the SMILES notation for 6-methyl-3-[2-[7-(3-morpholin-4-ylpropylamino)quinolin-4-yl]oxyethyl]-1,3-benzoxazol-2-one?
The canonical SMILES for 6-methyl-3-[2-[7-(3-morpholin-4-ylpropylamino)quinolin-4-yl]oxyethyl]-1,3-benzoxazol-2-one is Cc1ccc2c(c1)oc(=O)n2CCOc1ccnc2cc(NCCCN3CCOCC3)ccc12.
What is the InChIKey of 6-methyl-3-[2-[7-(3-morpholin-4-ylpropylamino)quinolin-4-yl]oxyethyl]-1,3-benzoxazol-2-one?
The InChIKey is HRMYECGXSNEINZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O4/c1-19-3-6-23-25(17-19)34-26(31)30(23)13-16-33-24-7-9-28-22-18-20(4-5-21(22)24)27-8-2-10-29-11-14-32-15-12-29/h3-7,9,17-18,27H,2,8,10-16H2,1H3.
What are the key properties of 6-methyl-3-[2-[7-(3-morpholin-4-ylpropylamino)quinolin-4-yl]oxyethyl]-1,3-benzoxazol-2-one?
6-methyl-3-[2-[7-(3-morpholin-4-ylpropylamino)quinolin-4-yl]oxyethyl]-1,3-benzoxazol-2-one has a molecular weight of 462.55 g/mol, XLogP of 3.66, 9 rotatable bonds, 1 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-ylpropylamino)quinolin-4-yl]oxyethyl]-1,3-benzoxazol-2-one is sourced from PubChem (CID 127030935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).