4-(2-methylphenyl)-2-piperidin-4-ylquinazoline

C20H21N3 — CID 11289673

IUPAC4-(2-methylphenyl)-2-piperidin-4-ylquinazoline
SMILESCc1ccccc1-c1nc(C2CCNCC2)nc2ccccc12
InChIInChI=1S/C20H21N3/c1-14-6-2-3-7-16(14)19-17-8-4-5-9-18(17)22-20(23-19)15-10-12-21-13-11-15/h2-9,15,21H,10-13H2,1H3
InChIKeyZSJAHKUWUCJXHY-UHFFFAOYSA-N
MW303.41 g/mol
LogP4.07
Rot. Bonds2

About 4-(2-methylphenyl)-2-piperidin-4-ylquinazoline

4-(2-methylphenyl)-2-piperidin-4-ylquinazoline (PubChem CID 11289673) has the molecular formula C20H21N3 and a molecular weight of 303.41 g/mol. Its IUPAC name is 4-(2-methylphenyl)-2-piperidin-4-ylquinazoline.

Molecular Properties

Compound Name4-(2-methylphenyl)-2-piperidin-4-ylquinazoline
PubChem CID11289673
Molecular FormulaC20H21N3
Molecular Weight303.41 g/mol
Exact Mass303.17
IUPAC Name4-(2-methylphenyl)-2-piperidin-4-ylquinazoline
SMILESCc1ccccc1-c1nc(C2CCNCC2)nc2ccccc12
InChIInChI=1S/C20H21N3/c1-14-6-2-3-7-16(14)19-17-8-4-5-9-18(17)22-20(23-19)15-10-12-21-13-11-15/h2-9,15,21H,10-13H2,1H3
InChIKeyZSJAHKUWUCJXHY-UHFFFAOYSA-N
XLogP4.07
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylphenyl)-2-piperidin-4-ylquinazoline?
The IUPAC name of 4-(2-methylphenyl)-2-piperidin-4-ylquinazoline (CID 11289673) is 4-(2-methylphenyl)-2-piperidin-4-ylquinazoline.
What is the SMILES notation for 4-(2-methylphenyl)-2-piperidin-4-ylquinazoline?
The canonical SMILES for 4-(2-methylphenyl)-2-piperidin-4-ylquinazoline is Cc1ccccc1-c1nc(C2CCNCC2)nc2ccccc12.
What is the InChIKey of 4-(2-methylphenyl)-2-piperidin-4-ylquinazoline?
The InChIKey is ZSJAHKUWUCJXHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3/c1-14-6-2-3-7-16(14)19-17-8-4-5-9-18(17)22-20(23-19)15-10-12-21-13-11-15/h2-9,15,21H,10-13H2,1H3.
What are the key properties of 4-(2-methylphenyl)-2-piperidin-4-ylquinazoline?
4-(2-methylphenyl)-2-piperidin-4-ylquinazoline has a molecular weight of 303.41 g/mol, XLogP of 4.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylphenyl)-2-piperidin-4-ylquinazoline is sourced from PubChem (CID 11289673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).