2-[2-(oxolan-2-ylmethoxy)naphthalen-1-yl]-3-(oxolan-2-ylmethyl)-1,2-dihydroquinazolin-4-one

C28H30N2O4 — CID 54779717

About 2-[2-(oxolan-2-ylmethoxy)naphthalen-1-yl]-3-(oxolan-2-ylmethyl)-1,2-dihydroquinazolin-4-one

2-[2-(oxolan-2-ylmethoxy)naphthalen-1-yl]-3-(oxolan-2-ylmethyl)-1,2-dihydroquinazolin-4-one (PubChem CID 54779717) has the molecular formula C28H30N2O4 and a molecular weight of 458.56 g/mol. Its IUPAC name is 2-[2-(oxolan-2-ylmethoxy)naphthalen-1-yl]-3-(oxolan-2-ylmethyl)-1,2-dihydroquinazolin-4-one.

Molecular Properties

• Compound Name: 2-[2-(oxolan-2-ylmethoxy)naphthalen-1-yl]-3-(oxolan-2-ylmethyl)-1,2-dihydroquinazolin-4-one
• PubChem CID: 54779717
• Molecular Formula: C28H30N2O4
• Molecular Weight: 458.56 g/mol
• Exact Mass: 458.22
• IUPAC Name: 2-[2-(oxolan-2-ylmethoxy)naphthalen-1-yl]-3-(oxolan-2-ylmethyl)-1,2-dihydroquinazolin-4-one
• SMILES: O=C1c2ccccc2NC(c2c(OCC3CCCO3)ccc3ccccc23)N1CC1CCCO1
• InChI: InChI=1S/C28H30N2O4/c31-28-23-11-3-4-12-24(23)29-27(30(28)17-20-8-5-15-32-20)26-22-10-2-1-7-19(22)13-14-25(26)34-18-21-9-6-16-33-21/h1-4,7,10-14,20-21,27,29H,5-6,8-9,15-18H2
• InChIKey: AZPUGYTZHNWINN-UHFFFAOYSA-N
• XLogP: 5.14
• TPSA: 60.03 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	458.56
LogP ≤ 5	5.14
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[2-(oxolan-2-ylmethoxy)naphthalen-1-yl]-3-(oxolan-2-ylmethyl)-1,2-dihydroquinazolin-4-one?

The IUPAC name of 2-[2-(oxolan-2-ylmethoxy)naphthalen-1-yl]-3-(oxolan-2-ylmethyl)-1,2-dihydroquinazolin-4-one (CID 54779717) is 2-[2-(oxolan-2-ylmethoxy)naphthalen-1-yl]-3-(oxolan-2-ylmethyl)-1,2-dihydroquinazolin-4-one.

What is the SMILES notation for 2-[2-(oxolan-2-ylmethoxy)naphthalen-1-yl]-3-(oxolan-2-ylmethyl)-1,2-dihydroquinazolin-4-one?

The canonical SMILES for 2-[2-(oxolan-2-ylmethoxy)naphthalen-1-yl]-3-(oxolan-2-ylmethyl)-1,2-dihydroquinazolin-4-one is O=C1c2ccccc2NC(c2c(OCC3CCCO3)ccc3ccccc23)N1CC1CCCO1.

What is the InChIKey of 2-[2-(oxolan-2-ylmethoxy)naphthalen-1-yl]-3-(oxolan-2-ylmethyl)-1,2-dihydroquinazolin-4-one?

The InChIKey is AZPUGYTZHNWINN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N2O4/c31-28-23-11-3-4-12-24(23)29-27(30(28)17-20-8-5-15-32-20)26-22-10-2-1-7-19(22)13-14-25(26)34-18-21-9-6-16-33-21/h1-4,7,10-14,20-21,27,29H,5-6,8-9,15-18H2.

What are the key properties of 2-[2-(oxolan-2-ylmethoxy)naphthalen-1-yl]-3-(oxolan-2-ylmethyl)-1,2-dihydroquinazolin-4-one?

2-[2-(oxolan-2-ylmethoxy)naphthalen-1-yl]-3-(oxolan-2-ylmethyl)-1,2-dihydroquinazolin-4-one has a molecular weight of 458.56 g/mol, XLogP of 5.14, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(oxolan-2-ylmethoxy)naphthalen-1-yl]-3-(oxolan-2-ylmethyl)-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 54779717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).