11-(3-morpholin-4-ylpropoxy)-[1]benzofuro[3,2-b]quinoline

C22H22N2O3 — CID 171933673

IUPAC11-(3-morpholin-4-ylpropoxy)-[1]benzofuro[3,2-b]quinoline
SMILESc1ccc2c(OCCCN3CCOCC3)c3oc4ccccc4c3nc2c1
InChIInChI=1S/C22H22N2O3/c1-3-8-18-16(6-1)21(26-13-5-10-24-11-14-25-15-12-24)22-20(23-18)17-7-2-4-9-19(17)27-22/h1-4,6-9H,5,10-15H2
InChIKeyJLGPBUXZLOHTNM-UHFFFAOYSA-N
MW362.43 g/mol
LogP4.24
Rot. Bonds5

About 11-(3-morpholin-4-ylpropoxy)-[1]benzofuro[3,2-b]quinoline

11-(3-morpholin-4-ylpropoxy)-[1]benzofuro[3,2-b]quinoline (PubChem CID 171933673) has the molecular formula C22H22N2O3 and a molecular weight of 362.43 g/mol. Its IUPAC name is 11-(3-morpholin-4-ylpropoxy)-[1]benzofuro[3,2-b]quinoline.

Molecular Properties

Compound Name11-(3-morpholin-4-ylpropoxy)-[1]benzofuro[3,2-b]quinoline
PubChem CID171933673
Molecular FormulaC22H22N2O3
Molecular Weight362.43 g/mol
Exact Mass362.16
IUPAC Name11-(3-morpholin-4-ylpropoxy)-[1]benzofuro[3,2-b]quinoline
SMILESc1ccc2c(OCCCN3CCOCC3)c3oc4ccccc4c3nc2c1
InChIInChI=1S/C22H22N2O3/c1-3-8-18-16(6-1)21(26-13-5-10-24-11-14-25-15-12-24)22-20(23-18)17-7-2-4-9-19(17)27-22/h1-4,6-9H,5,10-15H2
InChIKeyJLGPBUXZLOHTNM-UHFFFAOYSA-N
XLogP4.24
TPSA47.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 11-(3-morpholin-4-ylpropoxy)-[1]benzofuro[3,2-b]quinoline with MolForge

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Related Compounds

N-(2-morpholin-4-ylethyl)-[1]benzofuro[3,2-b]quinolin-11-amine
CID 11660269
4-(3-benzo[a]phenazin-5-yloxypropyl)morpholine
CID 71722358
2-(3-morpholin-4-ylpropoxy)-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11,13-heptaen-16-one
CID 155762158
4-(2-morpholin-4-ylethylsulfanyl)-[1]benzofuro[3,2-d]pyrimidine
CID 17411074
4-(2-morpholin-4-ylethoxy)chromen-2-one
CID 171354921
2-methyl-N-(2-morpholin-4-ylethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine chloride
CID 53312605
5-(3-morpholin-4-ylpropoxy)-N-phenylquinazolin-2-amine
CID 174464455
4-[3-[2-(3-morpholin-4-ylpropoxy)phenyl]propyl]morpholine
CID 170869645
4-[3-(4-phenylpiperazin-1-yl)propoxy]chromen-2-one
CID 132601710
4-morpholin-4-yl-[1]benzofuro[3,2-d]pyrimidine-2-carboxylic acid
CID 20873532
ethane;11-methyl-[1]benzofuro[3,2-b]quinoline
CID 143798134
1-(4-morpholin-4-ylbutoxy)naphthalene-2-carboxamide
CID 153402720

Frequently Asked Questions

What is the IUPAC name of 11-(3-morpholin-4-ylpropoxy)-[1]benzofuro[3,2-b]quinoline?
The IUPAC name of 11-(3-morpholin-4-ylpropoxy)-[1]benzofuro[3,2-b]quinoline (CID 171933673) is 11-(3-morpholin-4-ylpropoxy)-[1]benzofuro[3,2-b]quinoline.
What is the SMILES notation for 11-(3-morpholin-4-ylpropoxy)-[1]benzofuro[3,2-b]quinoline?
The canonical SMILES for 11-(3-morpholin-4-ylpropoxy)-[1]benzofuro[3,2-b]quinoline is c1ccc2c(OCCCN3CCOCC3)c3oc4ccccc4c3nc2c1.
What is the InChIKey of 11-(3-morpholin-4-ylpropoxy)-[1]benzofuro[3,2-b]quinoline?
The InChIKey is JLGPBUXZLOHTNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3/c1-3-8-18-16(6-1)21(26-13-5-10-24-11-14-25-15-12-24)22-20(23-18)17-7-2-4-9-19(17)27-22/h1-4,6-9H,5,10-15H2.
What are the key properties of 11-(3-morpholin-4-ylpropoxy)-[1]benzofuro[3,2-b]quinoline?
11-(3-morpholin-4-ylpropoxy)-[1]benzofuro[3,2-b]quinoline has a molecular weight of 362.43 g/mol, XLogP of 4.24, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(3-morpholin-4-ylpropoxy)-[1]benzofuro[3,2-b]quinoline is sourced from PubChem (CID 171933673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).