4-(4-benzylpiperidin-1-yl)-2-cyclobutyl-5-methylquinazoline

C25H29N3 — CID 171988069

IUPAC4-(4-benzylpiperidin-1-yl)-2-cyclobutyl-5-methylquinazoline
SMILESCc1cccc2nc(C3CCC3)nc(N3CCC(Cc4ccccc4)CC3)c12
InChIInChI=1S/C25H29N3/c1-18-7-5-12-22-23(18)25(27-24(26-22)21-10-6-11-21)28-15-13-20(14-16-28)17-19-8-3-2-4-9-19/h2-5,7-9,12,20-21H,6,10-11,13-17H2,1H3
InChIKeyOABGOBVZBYILNP-UHFFFAOYSA-N
MW371.53 g/mol
LogP5.66
Rot. Bonds4

About 4-(4-benzylpiperidin-1-yl)-2-cyclobutyl-5-methylquinazoline

4-(4-benzylpiperidin-1-yl)-2-cyclobutyl-5-methylquinazoline (PubChem CID 171988069) has the molecular formula C25H29N3 and a molecular weight of 371.53 g/mol. Its IUPAC name is 4-(4-benzylpiperidin-1-yl)-2-cyclobutyl-5-methylquinazoline.

Molecular Properties

Compound Name4-(4-benzylpiperidin-1-yl)-2-cyclobutyl-5-methylquinazoline
PubChem CID171988069
Molecular FormulaC25H29N3
Molecular Weight371.53 g/mol
Exact Mass371.24
IUPAC Name4-(4-benzylpiperidin-1-yl)-2-cyclobutyl-5-methylquinazoline
SMILESCc1cccc2nc(C3CCC3)nc(N3CCC(Cc4ccccc4)CC3)c12
InChIInChI=1S/C25H29N3/c1-18-7-5-12-22-23(18)25(27-24(26-22)21-10-6-11-21)28-15-13-20(14-16-28)17-19-8-3-2-4-9-19/h2-5,7-9,12,20-21H,6,10-11,13-17H2,1H3
InChIKeyOABGOBVZBYILNP-UHFFFAOYSA-N
XLogP5.66
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.53
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-benzylpiperidin-1-yl)-2-cyclobutyl-5-methylquinazoline?
The IUPAC name of 4-(4-benzylpiperidin-1-yl)-2-cyclobutyl-5-methylquinazoline (CID 171988069) is 4-(4-benzylpiperidin-1-yl)-2-cyclobutyl-5-methylquinazoline.
What is the SMILES notation for 4-(4-benzylpiperidin-1-yl)-2-cyclobutyl-5-methylquinazoline?
The canonical SMILES for 4-(4-benzylpiperidin-1-yl)-2-cyclobutyl-5-methylquinazoline is Cc1cccc2nc(C3CCC3)nc(N3CCC(Cc4ccccc4)CC3)c12.
What is the InChIKey of 4-(4-benzylpiperidin-1-yl)-2-cyclobutyl-5-methylquinazoline?
The InChIKey is OABGOBVZBYILNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3/c1-18-7-5-12-22-23(18)25(27-24(26-22)21-10-6-11-21)28-15-13-20(14-16-28)17-19-8-3-2-4-9-19/h2-5,7-9,12,20-21H,6,10-11,13-17H2,1H3.
What are the key properties of 4-(4-benzylpiperidin-1-yl)-2-cyclobutyl-5-methylquinazoline?
4-(4-benzylpiperidin-1-yl)-2-cyclobutyl-5-methylquinazoline has a molecular weight of 371.53 g/mol, XLogP of 5.66, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-benzylpiperidin-1-yl)-2-cyclobutyl-5-methylquinazoline is sourced from PubChem (CID 171988069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).