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

C26H29N3O — CID 54758186

IUPAC6-(furan-2-yl)-2-methyl-4-phenyl-3-(2-piperidin-1-ylethyl)-4H-quinazoline
SMILESCC1=Nc2ccc(-c3ccco3)cc2C(c2ccccc2)N1CCN1CCCCC1
InChIInChI=1S/C26H29N3O/c1-20-27-24-13-12-22(25-11-8-18-30-25)19-23(24)26(21-9-4-2-5-10-21)29(20)17-16-28-14-6-3-7-15-28/h2,4-5,8-13,18-19,26H,3,6-7,14-17H2,1H3
InChIKeyOKTFKVGDFAIBPE-UHFFFAOYSA-N
MW399.54 g/mol
LogP5.89
Rot. Bonds5

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

6-(furan-2-yl)-2-methyl-4-phenyl-3-(2-piperidin-1-ylethyl)-4H-quinazoline (PubChem CID 54758186) has the molecular formula C26H29N3O and a molecular weight of 399.54 g/mol. Its IUPAC name is 6-(furan-2-yl)-2-methyl-4-phenyl-3-(2-piperidin-1-ylethyl)-4H-quinazoline.

Molecular Properties

Compound Name6-(furan-2-yl)-2-methyl-4-phenyl-3-(2-piperidin-1-ylethyl)-4H-quinazoline
PubChem CID54758186
Molecular FormulaC26H29N3O
Molecular Weight399.54 g/mol
Exact Mass399.23
IUPAC Name6-(furan-2-yl)-2-methyl-4-phenyl-3-(2-piperidin-1-ylethyl)-4H-quinazoline
SMILESCC1=Nc2ccc(-c3ccco3)cc2C(c2ccccc2)N1CCN1CCCCC1
InChIInChI=1S/C26H29N3O/c1-20-27-24-13-12-22(25-11-8-18-30-25)19-23(24)26(21-9-4-2-5-10-21)29(20)17-16-28-14-6-3-7-15-28/h2,4-5,8-13,18-19,26H,3,6-7,14-17H2,1H3
InChIKeyOKTFKVGDFAIBPE-UHFFFAOYSA-N
XLogP5.89
TPSA31.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.54
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(furan-2-yl)-2-methyl-4-phenyl-3-(2-piperidin-1-ylethyl)-4H-quinazoline?
The IUPAC name of 6-(furan-2-yl)-2-methyl-4-phenyl-3-(2-piperidin-1-ylethyl)-4H-quinazoline (CID 54758186) is 6-(furan-2-yl)-2-methyl-4-phenyl-3-(2-piperidin-1-ylethyl)-4H-quinazoline.
What is the SMILES notation for 6-(furan-2-yl)-2-methyl-4-phenyl-3-(2-piperidin-1-ylethyl)-4H-quinazoline?
The canonical SMILES for 6-(furan-2-yl)-2-methyl-4-phenyl-3-(2-piperidin-1-ylethyl)-4H-quinazoline is CC1=Nc2ccc(-c3ccco3)cc2C(c2ccccc2)N1CCN1CCCCC1.
What is the InChIKey of 6-(furan-2-yl)-2-methyl-4-phenyl-3-(2-piperidin-1-ylethyl)-4H-quinazoline?
The InChIKey is OKTFKVGDFAIBPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O/c1-20-27-24-13-12-22(25-11-8-18-30-25)19-23(24)26(21-9-4-2-5-10-21)29(20)17-16-28-14-6-3-7-15-28/h2,4-5,8-13,18-19,26H,3,6-7,14-17H2,1H3.
What are the key properties of 6-(furan-2-yl)-2-methyl-4-phenyl-3-(2-piperidin-1-ylethyl)-4H-quinazoline?
6-(furan-2-yl)-2-methyl-4-phenyl-3-(2-piperidin-1-ylethyl)-4H-quinazoline has a molecular weight of 399.54 g/mol, XLogP of 5.89, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(furan-2-yl)-2-methyl-4-phenyl-3-(2-piperidin-1-ylethyl)-4H-quinazoline is sourced from PubChem (CID 54758186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).