1-[5-(2,3-dihydro-1H-inden-2-ylamino)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-2-yl]piperidin-4-ol

C24H32N4O — CID 45179973

About 1-[5-(2,3-dihydro-1H-inden-2-ylamino)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-2-yl]piperidin-4-ol

1-[5-(2,3-dihydro-1H-inden-2-ylamino)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-2-yl]piperidin-4-ol (PubChem CID 45179973) has the molecular formula C24H32N4O and a molecular weight of 392.55 g/mol. Its IUPAC name is 1-[5-(2,3-dihydro-1H-inden-2-ylamino)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-2-yl]piperidin-4-ol.

Molecular Properties

• Compound Name: 1-[5-(2,3-dihydro-1H-inden-2-ylamino)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-2-yl]piperidin-4-ol
• PubChem CID: 45179973
• Molecular Formula: C24H32N4O
• Molecular Weight: 392.55 g/mol
• Exact Mass: 392.26
• IUPAC Name: 1-[5-(2,3-dihydro-1H-inden-2-ylamino)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-2-yl]piperidin-4-ol
• SMILES: CC1(C)Cc2nc(N3CCC(O)CC3)ncc2C(NC2Cc3ccccc3C2)C1
• InChI: InChI=1S/C24H32N4O/c1-24(2)13-21(26-18-11-16-5-3-4-6-17(16)12-18)20-15-25-23(27-22(20)14-24)28-9-7-19(29)8-10-28/h3-6,15,18-19,21,26,29H,7-14H2,1-2H3
• InChIKey: KHAIMSDJPWPAAZ-UHFFFAOYSA-N
• XLogP: 3.21
• TPSA: 61.28 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	392.55
LogP ≤ 5	3.21
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2,3-dihydro-1H-inden-2-ylamino)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-2-yl]piperidin-4-ol?

The IUPAC name of 1-[5-(2,3-dihydro-1H-inden-2-ylamino)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-2-yl]piperidin-4-ol (CID 45179973) is 1-[5-(2,3-dihydro-1H-inden-2-ylamino)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-2-yl]piperidin-4-ol.

What is the SMILES notation for 1-[5-(2,3-dihydro-1H-inden-2-ylamino)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-2-yl]piperidin-4-ol?

The canonical SMILES for 1-[5-(2,3-dihydro-1H-inden-2-ylamino)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-2-yl]piperidin-4-ol is CC1(C)Cc2nc(N3CCC(O)CC3)ncc2C(NC2Cc3ccccc3C2)C1.

What is the InChIKey of 1-[5-(2,3-dihydro-1H-inden-2-ylamino)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-2-yl]piperidin-4-ol?

The InChIKey is KHAIMSDJPWPAAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O/c1-24(2)13-21(26-18-11-16-5-3-4-6-17(16)12-18)20-15-25-23(27-22(20)14-24)28-9-7-19(29)8-10-28/h3-6,15,18-19,21,26,29H,7-14H2,1-2H3.

What are the key properties of 1-[5-(2,3-dihydro-1H-inden-2-ylamino)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-2-yl]piperidin-4-ol?

1-[5-(2,3-dihydro-1H-inden-2-ylamino)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-2-yl]piperidin-4-ol has a molecular weight of 392.55 g/mol, XLogP of 3.21, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-(2,3-dihydro-1H-inden-2-ylamino)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-2-yl]piperidin-4-ol is sourced from PubChem (CID 45179973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).