2-methyl-4,6-diphenyl-3-(2-piperidin-1-ylethyl)-4H-quinazoline

C28H31N3 — CID 54758184

IUPAC2-methyl-4,6-diphenyl-3-(2-piperidin-1-ylethyl)-4H-quinazoline
SMILESCC1=Nc2ccc(-c3ccccc3)cc2C(c2ccccc2)N1CCN1CCCCC1
InChIInChI=1S/C28H31N3/c1-22-29-27-16-15-25(23-11-5-2-6-12-23)21-26(27)28(24-13-7-3-8-14-24)31(22)20-19-30-17-9-4-10-18-30/h2-3,5-8,11-16,21,28H,4,9-10,17-20H2,1H3
InChIKeyPKQKKWTWBCGHPC-UHFFFAOYSA-N
MW409.58 g/mol
LogP6.29
Rot. Bonds5

About 2-methyl-4,6-diphenyl-3-(2-piperidin-1-ylethyl)-4H-quinazoline

2-methyl-4,6-diphenyl-3-(2-piperidin-1-ylethyl)-4H-quinazoline (PubChem CID 54758184) has the molecular formula C28H31N3 and a molecular weight of 409.58 g/mol. Its IUPAC name is 2-methyl-4,6-diphenyl-3-(2-piperidin-1-ylethyl)-4H-quinazoline.

Molecular Properties

Compound Name2-methyl-4,6-diphenyl-3-(2-piperidin-1-ylethyl)-4H-quinazoline
PubChem CID54758184
Molecular FormulaC28H31N3
Molecular Weight409.58 g/mol
Exact Mass409.25
IUPAC Name2-methyl-4,6-diphenyl-3-(2-piperidin-1-ylethyl)-4H-quinazoline
SMILESCC1=Nc2ccc(-c3ccccc3)cc2C(c2ccccc2)N1CCN1CCCCC1
InChIInChI=1S/C28H31N3/c1-22-29-27-16-15-25(23-11-5-2-6-12-23)21-26(27)28(24-13-7-3-8-14-24)31(22)20-19-30-17-9-4-10-18-30/h2-3,5-8,11-16,21,28H,4,9-10,17-20H2,1H3
InChIKeyPKQKKWTWBCGHPC-UHFFFAOYSA-N
XLogP6.29
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.58
LogP ≤ 56.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4,6-diphenyl-3-(2-piperidin-1-ylethyl)-4H-quinazoline?
The IUPAC name of 2-methyl-4,6-diphenyl-3-(2-piperidin-1-ylethyl)-4H-quinazoline (CID 54758184) is 2-methyl-4,6-diphenyl-3-(2-piperidin-1-ylethyl)-4H-quinazoline.
What is the SMILES notation for 2-methyl-4,6-diphenyl-3-(2-piperidin-1-ylethyl)-4H-quinazoline?
The canonical SMILES for 2-methyl-4,6-diphenyl-3-(2-piperidin-1-ylethyl)-4H-quinazoline is CC1=Nc2ccc(-c3ccccc3)cc2C(c2ccccc2)N1CCN1CCCCC1.
What is the InChIKey of 2-methyl-4,6-diphenyl-3-(2-piperidin-1-ylethyl)-4H-quinazoline?
The InChIKey is PKQKKWTWBCGHPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N3/c1-22-29-27-16-15-25(23-11-5-2-6-12-23)21-26(27)28(24-13-7-3-8-14-24)31(22)20-19-30-17-9-4-10-18-30/h2-3,5-8,11-16,21,28H,4,9-10,17-20H2,1H3.
What are the key properties of 2-methyl-4,6-diphenyl-3-(2-piperidin-1-ylethyl)-4H-quinazoline?
2-methyl-4,6-diphenyl-3-(2-piperidin-1-ylethyl)-4H-quinazoline has a molecular weight of 409.58 g/mol, XLogP of 6.29, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4,6-diphenyl-3-(2-piperidin-1-ylethyl)-4H-quinazoline is sourced from PubChem (CID 54758184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).