2-(1-tert-butyl-3-methylpiperidin-3-yl)-4-phenylquinazoline

C24H29N3 — CID 91608320

IUPAC2-(1-tert-butyl-3-methylpiperidin-3-yl)-4-phenylquinazoline
SMILESCC1(c2nc(-c3ccccc3)c3ccccc3n2)CCCN(C(C)(C)C)C1
InChIInChI=1S/C24H29N3/c1-23(2,3)27-16-10-15-24(4,17-27)22-25-20-14-9-8-13-19(20)21(26-22)18-11-6-5-7-12-18/h5-9,11-14H,10,15-17H2,1-4H3
InChIKeyGZOJXLXXUHCXGM-UHFFFAOYSA-N
MW359.52 g/mol
LogP5.45
Rot. Bonds2

About 2-(1-tert-butyl-3-methylpiperidin-3-yl)-4-phenylquinazoline

2-(1-tert-butyl-3-methylpiperidin-3-yl)-4-phenylquinazoline (PubChem CID 91608320) has the molecular formula C24H29N3 and a molecular weight of 359.52 g/mol. Its IUPAC name is 2-(1-tert-butyl-3-methylpiperidin-3-yl)-4-phenylquinazoline.

Molecular Properties

Compound Name2-(1-tert-butyl-3-methylpiperidin-3-yl)-4-phenylquinazoline
PubChem CID91608320
Molecular FormulaC24H29N3
Molecular Weight359.52 g/mol
Exact Mass359.24
IUPAC Name2-(1-tert-butyl-3-methylpiperidin-3-yl)-4-phenylquinazoline
SMILESCC1(c2nc(-c3ccccc3)c3ccccc3n2)CCCN(C(C)(C)C)C1
InChIInChI=1S/C24H29N3/c1-23(2,3)27-16-10-15-24(4,17-27)22-25-20-14-9-8-13-19(20)21(26-22)18-11-6-5-7-12-18/h5-9,11-14H,10,15-17H2,1-4H3
InChIKeyGZOJXLXXUHCXGM-UHFFFAOYSA-N
XLogP5.45
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.52
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-tert-butyl-3-methylpiperidin-3-yl)-4-phenylquinazoline?
The IUPAC name of 2-(1-tert-butyl-3-methylpiperidin-3-yl)-4-phenylquinazoline (CID 91608320) is 2-(1-tert-butyl-3-methylpiperidin-3-yl)-4-phenylquinazoline.
What is the SMILES notation for 2-(1-tert-butyl-3-methylpiperidin-3-yl)-4-phenylquinazoline?
The canonical SMILES for 2-(1-tert-butyl-3-methylpiperidin-3-yl)-4-phenylquinazoline is CC1(c2nc(-c3ccccc3)c3ccccc3n2)CCCN(C(C)(C)C)C1.
What is the InChIKey of 2-(1-tert-butyl-3-methylpiperidin-3-yl)-4-phenylquinazoline?
The InChIKey is GZOJXLXXUHCXGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3/c1-23(2,3)27-16-10-15-24(4,17-27)22-25-20-14-9-8-13-19(20)21(26-22)18-11-6-5-7-12-18/h5-9,11-14H,10,15-17H2,1-4H3.
What are the key properties of 2-(1-tert-butyl-3-methylpiperidin-3-yl)-4-phenylquinazoline?
2-(1-tert-butyl-3-methylpiperidin-3-yl)-4-phenylquinazoline has a molecular weight of 359.52 g/mol, XLogP of 5.45, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-tert-butyl-3-methylpiperidin-3-yl)-4-phenylquinazoline is sourced from PubChem (CID 91608320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).