N-([1]benzofuro[3,2-b]quinolin-11-yl)-N',N'-dimethylpropane-1,3-diamine

C20H21N3O — CID 11709518

IUPACN-([1]benzofuro[3,2-b]quinolin-11-yl)-N',N'-dimethylpropane-1,3-diamine
SMILESCN(C)CCCNc1c2ccccc2nc2c1oc1ccccc12
InChIInChI=1S/C20H21N3O/c1-23(2)13-7-12-21-18-14-8-3-5-10-16(14)22-19-15-9-4-6-11-17(15)24-20(18)19/h3-6,8-11H,7,12-13H2,1-2H3,(H,21,22)
InChIKeyLVKYDLBWVCJVBE-UHFFFAOYSA-N
MW319.41 g/mol
LogP4.50
Rot. Bonds5

About N-([1]benzofuro[3,2-b]quinolin-11-yl)-N',N'-dimethylpropane-1,3-diamine

N-([1]benzofuro[3,2-b]quinolin-11-yl)-N',N'-dimethylpropane-1,3-diamine (PubChem CID 11709518) has the molecular formula C20H21N3O and a molecular weight of 319.41 g/mol. Its IUPAC name is N-([1]benzofuro[3,2-b]quinolin-11-yl)-N',N'-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-([1]benzofuro[3,2-b]quinolin-11-yl)-N',N'-dimethylpropane-1,3-diamine
PubChem CID11709518
Molecular FormulaC20H21N3O
Molecular Weight319.41 g/mol
Exact Mass319.17
IUPAC NameN-([1]benzofuro[3,2-b]quinolin-11-yl)-N',N'-dimethylpropane-1,3-diamine
SMILESCN(C)CCCNc1c2ccccc2nc2c1oc1ccccc12
InChIInChI=1S/C20H21N3O/c1-23(2)13-7-12-21-18-14-8-3-5-10-16(14)22-19-15-9-4-6-11-17(15)24-20(18)19/h3-6,8-11H,7,12-13H2,1-2H3,(H,21,22)
InChIKeyLVKYDLBWVCJVBE-UHFFFAOYSA-N
XLogP4.50
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-([1]benzofuro[3,2-b]quinolin-11-yl)-N',N'-dimethylpropane-1,3-diamine?
The IUPAC name of N-([1]benzofuro[3,2-b]quinolin-11-yl)-N',N'-dimethylpropane-1,3-diamine (CID 11709518) is N-([1]benzofuro[3,2-b]quinolin-11-yl)-N',N'-dimethylpropane-1,3-diamine.
What is the SMILES notation for N-([1]benzofuro[3,2-b]quinolin-11-yl)-N',N'-dimethylpropane-1,3-diamine?
The canonical SMILES for N-([1]benzofuro[3,2-b]quinolin-11-yl)-N',N'-dimethylpropane-1,3-diamine is CN(C)CCCNc1c2ccccc2nc2c1oc1ccccc12.
What is the InChIKey of N-([1]benzofuro[3,2-b]quinolin-11-yl)-N',N'-dimethylpropane-1,3-diamine?
The InChIKey is LVKYDLBWVCJVBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O/c1-23(2)13-7-12-21-18-14-8-3-5-10-16(14)22-19-15-9-4-6-11-17(15)24-20(18)19/h3-6,8-11H,7,12-13H2,1-2H3,(H,21,22).
What are the key properties of N-([1]benzofuro[3,2-b]quinolin-11-yl)-N',N'-dimethylpropane-1,3-diamine?
N-([1]benzofuro[3,2-b]quinolin-11-yl)-N',N'-dimethylpropane-1,3-diamine has a molecular weight of 319.41 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-([1]benzofuro[3,2-b]quinolin-11-yl)-N',N'-dimethylpropane-1,3-diamine is sourced from PubChem (CID 11709518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).