N-(3-imidazol-1-ylpropyl)-[1]benzofuro[3,2-b]quinolin-11-amine

C21H18N4O — CID 171933683

IUPACN-(3-imidazol-1-ylpropyl)-[1]benzofuro[3,2-b]quinolin-11-amine
SMILESc1ccc2c(NCCCn3ccnc3)c3oc4ccccc4c3nc2c1
InChIInChI=1S/C21H18N4O/c1-3-8-17-15(6-1)19(23-10-5-12-25-13-11-22-14-25)21-20(24-17)16-7-2-4-9-18(16)26-21/h1-4,6-9,11,13-14H,5,10,12H2,(H,23,24)
InChIKeyHQXMTZBDZRLPTH-UHFFFAOYSA-N
MW342.40 g/mol
LogP4.83
Rot. Bonds5

About N-(3-imidazol-1-ylpropyl)-[1]benzofuro[3,2-b]quinolin-11-amine

N-(3-imidazol-1-ylpropyl)-[1]benzofuro[3,2-b]quinolin-11-amine (PubChem CID 171933683) has the molecular formula C21H18N4O and a molecular weight of 342.40 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-[1]benzofuro[3,2-b]quinolin-11-amine.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-[1]benzofuro[3,2-b]quinolin-11-amine
PubChem CID171933683
Molecular FormulaC21H18N4O
Molecular Weight342.40 g/mol
Exact Mass342.15
IUPAC NameN-(3-imidazol-1-ylpropyl)-[1]benzofuro[3,2-b]quinolin-11-amine
SMILESc1ccc2c(NCCCn3ccnc3)c3oc4ccccc4c3nc2c1
InChIInChI=1S/C21H18N4O/c1-3-8-17-15(6-1)19(23-10-5-12-25-13-11-22-14-25)21-20(24-17)16-7-2-4-9-18(16)26-21/h1-4,6-9,11,13-14H,5,10,12H2,(H,23,24)
InChIKeyHQXMTZBDZRLPTH-UHFFFAOYSA-N
XLogP4.83
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 N-(3-imidazol-1-ylpropyl)-[1]benzofuro[3,2-b]quinolin-11-amine?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-[1]benzofuro[3,2-b]quinolin-11-amine (CID 171933683) is N-(3-imidazol-1-ylpropyl)-[1]benzofuro[3,2-b]quinolin-11-amine.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-[1]benzofuro[3,2-b]quinolin-11-amine?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-[1]benzofuro[3,2-b]quinolin-11-amine is c1ccc2c(NCCCn3ccnc3)c3oc4ccccc4c3nc2c1.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-[1]benzofuro[3,2-b]quinolin-11-amine?
The InChIKey is HQXMTZBDZRLPTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O/c1-3-8-17-15(6-1)19(23-10-5-12-25-13-11-22-14-25)21-20(24-17)16-7-2-4-9-18(16)26-21/h1-4,6-9,11,13-14H,5,10,12H2,(H,23,24).
What are the key properties of N-(3-imidazol-1-ylpropyl)-[1]benzofuro[3,2-b]quinolin-11-amine?
N-(3-imidazol-1-ylpropyl)-[1]benzofuro[3,2-b]quinolin-11-amine has a molecular weight of 342.40 g/mol, XLogP of 4.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylpropyl)-[1]benzofuro[3,2-b]quinolin-11-amine is sourced from PubChem (CID 171933683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).