6-(1-benzofuran-2-yl)-2-methyl-4-phenyl-3-(2-piperidin-1-ylethyl)-4H-quinazoline

C30H31N3O — CID 54758276

IUPAC6-(1-benzofuran-2-yl)-2-methyl-4-phenyl-3-(2-piperidin-1-ylethyl)-4H-quinazoline
SMILESCC1=Nc2ccc(-c3cc4ccccc4o3)cc2C(c2ccccc2)N1CCN1CCCCC1
InChIInChI=1S/C30H31N3O/c1-22-31-27-15-14-25(29-21-24-12-6-7-13-28(24)34-29)20-26(27)30(23-10-4-2-5-11-23)33(22)19-18-32-16-8-3-9-17-32/h2,4-7,10-15,20-21,30H,3,8-9,16-19H2,1H3
InChIKeyQPUPHEFBIFHKJD-UHFFFAOYSA-N
MW449.60 g/mol
LogP7.04
Rot. Bonds5

About 6-(1-benzofuran-2-yl)-2-methyl-4-phenyl-3-(2-piperidin-1-ylethyl)-4H-quinazoline

6-(1-benzofuran-2-yl)-2-methyl-4-phenyl-3-(2-piperidin-1-ylethyl)-4H-quinazoline (PubChem CID 54758276) has the molecular formula C30H31N3O and a molecular weight of 449.60 g/mol. Its IUPAC name is 6-(1-benzofuran-2-yl)-2-methyl-4-phenyl-3-(2-piperidin-1-ylethyl)-4H-quinazoline.

Molecular Properties

Compound Name6-(1-benzofuran-2-yl)-2-methyl-4-phenyl-3-(2-piperidin-1-ylethyl)-4H-quinazoline
PubChem CID54758276
Molecular FormulaC30H31N3O
Molecular Weight449.60 g/mol
Exact Mass449.25
IUPAC Name6-(1-benzofuran-2-yl)-2-methyl-4-phenyl-3-(2-piperidin-1-ylethyl)-4H-quinazoline
SMILESCC1=Nc2ccc(-c3cc4ccccc4o3)cc2C(c2ccccc2)N1CCN1CCCCC1
InChIInChI=1S/C30H31N3O/c1-22-31-27-15-14-25(29-21-24-12-6-7-13-28(24)34-29)20-26(27)30(23-10-4-2-5-11-23)33(22)19-18-32-16-8-3-9-17-32/h2,4-7,10-15,20-21,30H,3,8-9,16-19H2,1H3
InChIKeyQPUPHEFBIFHKJD-UHFFFAOYSA-N
XLogP7.04
TPSA31.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.60
LogP ≤ 57.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-(1-benzofuran-2-yl)-2-methyl-4-phenyl-3-(2-piperidin-1-ylethyl)-4H-quinazoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(1-benzofuran-2-yl)-2-methyl-4-phenyl-3-(2-piperidin-1-ylethyl)-4H-quinazoline?
The IUPAC name of 6-(1-benzofuran-2-yl)-2-methyl-4-phenyl-3-(2-piperidin-1-ylethyl)-4H-quinazoline (CID 54758276) is 6-(1-benzofuran-2-yl)-2-methyl-4-phenyl-3-(2-piperidin-1-ylethyl)-4H-quinazoline.
What is the SMILES notation for 6-(1-benzofuran-2-yl)-2-methyl-4-phenyl-3-(2-piperidin-1-ylethyl)-4H-quinazoline?
The canonical SMILES for 6-(1-benzofuran-2-yl)-2-methyl-4-phenyl-3-(2-piperidin-1-ylethyl)-4H-quinazoline is CC1=Nc2ccc(-c3cc4ccccc4o3)cc2C(c2ccccc2)N1CCN1CCCCC1.
What is the InChIKey of 6-(1-benzofuran-2-yl)-2-methyl-4-phenyl-3-(2-piperidin-1-ylethyl)-4H-quinazoline?
The InChIKey is QPUPHEFBIFHKJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31N3O/c1-22-31-27-15-14-25(29-21-24-12-6-7-13-28(24)34-29)20-26(27)30(23-10-4-2-5-11-23)33(22)19-18-32-16-8-3-9-17-32/h2,4-7,10-15,20-21,30H,3,8-9,16-19H2,1H3.
What are the key properties of 6-(1-benzofuran-2-yl)-2-methyl-4-phenyl-3-(2-piperidin-1-ylethyl)-4H-quinazoline?
6-(1-benzofuran-2-yl)-2-methyl-4-phenyl-3-(2-piperidin-1-ylethyl)-4H-quinazoline has a molecular weight of 449.60 g/mol, XLogP of 7.04, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-benzofuran-2-yl)-2-methyl-4-phenyl-3-(2-piperidin-1-ylethyl)-4H-quinazoline is sourced from PubChem (CID 54758276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).