1-[5-[(4,5-dimethylfuran-2-yl)methylamino]-7,7-dimethyl-6,8-dihydro-5H-quinazolin-2-yl]piperidin-4-ol

C22H32N4O2 — CID 45214690

About 1-[5-[(4,5-dimethylfuran-2-yl)methylamino]-7,7-dimethyl-6,8-dihydro-5H-quinazolin-2-yl]piperidin-4-ol

1-[5-[(4,5-dimethylfuran-2-yl)methylamino]-7,7-dimethyl-6,8-dihydro-5H-quinazolin-2-yl]piperidin-4-ol (PubChem CID 45214690) has the molecular formula C22H32N4O2 and a molecular weight of 384.52 g/mol. Its IUPAC name is 1-[5-[(4,5-dimethylfuran-2-yl)methylamino]-7,7-dimethyl-6,8-dihydro-5H-quinazolin-2-yl]piperidin-4-ol.

Molecular Properties

• Compound Name: 1-[5-[(4,5-dimethylfuran-2-yl)methylamino]-7,7-dimethyl-6,8-dihydro-5H-quinazolin-2-yl]piperidin-4-ol
• PubChem CID: 45214690
• Molecular Formula: C22H32N4O2
• Molecular Weight: 384.52 g/mol
• Exact Mass: 384.25
• IUPAC Name: 1-[5-[(4,5-dimethylfuran-2-yl)methylamino]-7,7-dimethyl-6,8-dihydro-5H-quinazolin-2-yl]piperidin-4-ol
• SMILES: Cc1cc(CNC2CC(C)(C)Cc3nc(N4CCC(O)CC4)ncc32)oc1C
• InChI: InChI=1S/C22H32N4O2/c1-14-9-17(28-15(14)2)12-23-19-10-22(3,4)11-20-18(19)13-24-21(25-20)26-7-5-16(27)6-8-26/h9,13,16,19,23,27H,5-8,10-12H2,1-4H3
• InChIKey: LSPTXASXOMGBAE-UHFFFAOYSA-N
• XLogP: 3.45
• TPSA: 74.42 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	384.52
LogP ≤ 5	3.45
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(4,5-dimethylfuran-2-yl)methylamino]-7,7-dimethyl-6,8-dihydro-5H-quinazolin-2-yl]piperidin-4-ol?

The IUPAC name of 1-[5-[(4,5-dimethylfuran-2-yl)methylamino]-7,7-dimethyl-6,8-dihydro-5H-quinazolin-2-yl]piperidin-4-ol (CID 45214690) is 1-[5-[(4,5-dimethylfuran-2-yl)methylamino]-7,7-dimethyl-6,8-dihydro-5H-quinazolin-2-yl]piperidin-4-ol.

What is the SMILES notation for 1-[5-[(4,5-dimethylfuran-2-yl)methylamino]-7,7-dimethyl-6,8-dihydro-5H-quinazolin-2-yl]piperidin-4-ol?

The canonical SMILES for 1-[5-[(4,5-dimethylfuran-2-yl)methylamino]-7,7-dimethyl-6,8-dihydro-5H-quinazolin-2-yl]piperidin-4-ol is Cc1cc(CNC2CC(C)(C)Cc3nc(N4CCC(O)CC4)ncc32)oc1C.

What is the InChIKey of 1-[5-[(4,5-dimethylfuran-2-yl)methylamino]-7,7-dimethyl-6,8-dihydro-5H-quinazolin-2-yl]piperidin-4-ol?

The InChIKey is LSPTXASXOMGBAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O2/c1-14-9-17(28-15(14)2)12-23-19-10-22(3,4)11-20-18(19)13-24-21(25-20)26-7-5-16(27)6-8-26/h9,13,16,19,23,27H,5-8,10-12H2,1-4H3.

What are the key properties of 1-[5-[(4,5-dimethylfuran-2-yl)methylamino]-7,7-dimethyl-6,8-dihydro-5H-quinazolin-2-yl]piperidin-4-ol?

1-[5-[(4,5-dimethylfuran-2-yl)methylamino]-7,7-dimethyl-6,8-dihydro-5H-quinazolin-2-yl]piperidin-4-ol has a molecular weight of 384.52 g/mol, XLogP of 3.45, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-[(4,5-dimethylfuran-2-yl)methylamino]-7,7-dimethyl-6,8-dihydro-5H-quinazolin-2-yl]piperidin-4-ol is sourced from PubChem (CID 45214690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).