2,4-di(piperidin-1-yl)-5-propan-2-ylquinazoline

C21H30N4 — CID 21412330

IUPAC2,4-di(piperidin-1-yl)-5-propan-2-ylquinazoline
SMILESCC(C)c1cccc2nc(N3CCCCC3)nc(N3CCCCC3)c12
InChIInChI=1S/C21H30N4/c1-16(2)17-10-9-11-18-19(17)20(24-12-5-3-6-13-24)23-21(22-18)25-14-7-4-8-15-25/h9-11,16H,3-8,12-15H2,1-2H3
InChIKeyZRAZIRAPWDPSOR-UHFFFAOYSA-N
MW338.50 g/mol
LogP4.73
Rot. Bonds3

About 2,4-di(piperidin-1-yl)-5-propan-2-ylquinazoline

2,4-di(piperidin-1-yl)-5-propan-2-ylquinazoline (PubChem CID 21412330) has the molecular formula C21H30N4 and a molecular weight of 338.50 g/mol. Its IUPAC name is 2,4-di(piperidin-1-yl)-5-propan-2-ylquinazoline.

Molecular Properties

Compound Name2,4-di(piperidin-1-yl)-5-propan-2-ylquinazoline
PubChem CID21412330
Molecular FormulaC21H30N4
Molecular Weight338.50 g/mol
Exact Mass338.25
IUPAC Name2,4-di(piperidin-1-yl)-5-propan-2-ylquinazoline
SMILESCC(C)c1cccc2nc(N3CCCCC3)nc(N3CCCCC3)c12
InChIInChI=1S/C21H30N4/c1-16(2)17-10-9-11-18-19(17)20(24-12-5-3-6-13-24)23-21(22-18)25-14-7-4-8-15-25/h9-11,16H,3-8,12-15H2,1-2H3
InChIKeyZRAZIRAPWDPSOR-UHFFFAOYSA-N
XLogP4.73
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.50
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-di(piperidin-1-yl)-5-propan-2-ylquinazoline?
The IUPAC name of 2,4-di(piperidin-1-yl)-5-propan-2-ylquinazoline (CID 21412330) is 2,4-di(piperidin-1-yl)-5-propan-2-ylquinazoline.
What is the SMILES notation for 2,4-di(piperidin-1-yl)-5-propan-2-ylquinazoline?
The canonical SMILES for 2,4-di(piperidin-1-yl)-5-propan-2-ylquinazoline is CC(C)c1cccc2nc(N3CCCCC3)nc(N3CCCCC3)c12.
What is the InChIKey of 2,4-di(piperidin-1-yl)-5-propan-2-ylquinazoline?
The InChIKey is ZRAZIRAPWDPSOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4/c1-16(2)17-10-9-11-18-19(17)20(24-12-5-3-6-13-24)23-21(22-18)25-14-7-4-8-15-25/h9-11,16H,3-8,12-15H2,1-2H3.
What are the key properties of 2,4-di(piperidin-1-yl)-5-propan-2-ylquinazoline?
2,4-di(piperidin-1-yl)-5-propan-2-ylquinazoline has a molecular weight of 338.50 g/mol, XLogP of 4.73, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-di(piperidin-1-yl)-5-propan-2-ylquinazoline is sourced from PubChem (CID 21412330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).