N-[2-(1-benzofuran-2-yl)-6-methoxyquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine

C22H24N4O2 — CID 24873093

IUPACN-[2-(1-benzofuran-2-yl)-6-methoxyquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine
SMILESCOc1ccc2nc(-c3cc4ccccc4o3)nc(NCCCN(C)C)c2c1
InChIInChI=1S/C22H24N4O2/c1-26(2)12-6-11-23-21-17-14-16(27-3)9-10-18(17)24-22(25-21)20-13-15-7-4-5-8-19(15)28-20/h4-5,7-10,13-14H,6,11-12H2,1-3H3,(H,23,24,25)
InChIKeyHEBWQEUVYNPPDI-UHFFFAOYSA-N
MW376.46 g/mol
LogP4.42
Rot. Bonds7

About N-[2-(1-benzofuran-2-yl)-6-methoxyquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine

N-[2-(1-benzofuran-2-yl)-6-methoxyquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine (PubChem CID 24873093) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is N-[2-(1-benzofuran-2-yl)-6-methoxyquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-[2-(1-benzofuran-2-yl)-6-methoxyquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine
PubChem CID24873093
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC NameN-[2-(1-benzofuran-2-yl)-6-methoxyquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine
SMILESCOc1ccc2nc(-c3cc4ccccc4o3)nc(NCCCN(C)C)c2c1
InChIInChI=1S/C22H24N4O2/c1-26(2)12-6-11-23-21-17-14-16(27-3)9-10-18(17)24-22(25-21)20-13-15-7-4-5-8-19(15)28-20/h4-5,7-10,13-14H,6,11-12H2,1-3H3,(H,23,24,25)
InChIKeyHEBWQEUVYNPPDI-UHFFFAOYSA-N
XLogP4.42
TPSA63.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-[2-(1-benzofuran-2-yl)-6-methoxyquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine?
The IUPAC name of N-[2-(1-benzofuran-2-yl)-6-methoxyquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine (CID 24873093) is N-[2-(1-benzofuran-2-yl)-6-methoxyquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine.
What is the SMILES notation for N-[2-(1-benzofuran-2-yl)-6-methoxyquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine?
The canonical SMILES for N-[2-(1-benzofuran-2-yl)-6-methoxyquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine is COc1ccc2nc(-c3cc4ccccc4o3)nc(NCCCN(C)C)c2c1.
What is the InChIKey of N-[2-(1-benzofuran-2-yl)-6-methoxyquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine?
The InChIKey is HEBWQEUVYNPPDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-26(2)12-6-11-23-21-17-14-16(27-3)9-10-18(17)24-22(25-21)20-13-15-7-4-5-8-19(15)28-20/h4-5,7-10,13-14H,6,11-12H2,1-3H3,(H,23,24,25).
What are the key properties of N-[2-(1-benzofuran-2-yl)-6-methoxyquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine?
N-[2-(1-benzofuran-2-yl)-6-methoxyquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine has a molecular weight of 376.46 g/mol, XLogP of 4.42, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-benzofuran-2-yl)-6-methoxyquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine is sourced from PubChem (CID 24873093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).