2-[3-[[2,6-di(propan-2-yl)phenoxy]methyl]-4-methoxyphenyl]-3-(furan-2-ylmethyl)-2,4-dihydro-1H-quinazolin-4-ol

C33H38N2O4 — CID 123958245

About 2-[3-[[2,6-di(propan-2-yl)phenoxy]methyl]-4-methoxyphenyl]-3-(furan-2-ylmethyl)-2,4-dihydro-1H-quinazolin-4-ol

2-[3-[[2,6-di(propan-2-yl)phenoxy]methyl]-4-methoxyphenyl]-3-(furan-2-ylmethyl)-2,4-dihydro-1H-quinazolin-4-ol (PubChem CID 123958245) has the molecular formula C33H38N2O4 and a molecular weight of 526.68 g/mol. Its IUPAC name is 2-[3-[[2,6-di(propan-2-yl)phenoxy]methyl]-4-methoxyphenyl]-3-(furan-2-ylmethyl)-2,4-dihydro-1H-quinazolin-4-ol.

Molecular Properties

• Compound Name: 2-[3-[[2,6-di(propan-2-yl)phenoxy]methyl]-4-methoxyphenyl]-3-(furan-2-ylmethyl)-2,4-dihydro-1H-quinazolin-4-ol
• PubChem CID: 123958245
• Molecular Formula: C33H38N2O4
• Molecular Weight: 526.68 g/mol
• Exact Mass: 526.28
• IUPAC Name: 2-[3-[[2,6-di(propan-2-yl)phenoxy]methyl]-4-methoxyphenyl]-3-(furan-2-ylmethyl)-2,4-dihydro-1H-quinazolin-4-ol
• SMILES: COc1ccc(C2Nc3ccccc3C(O)N2Cc2ccco2)cc1COc1c(C(C)C)cccc1C(C)C
• InChI: InChI=1S/C33H38N2O4/c1-21(2)26-12-8-13-27(22(3)4)31(26)39-20-24-18-23(15-16-30(24)37-5)32-34-29-14-7-6-11-28(29)33(36)35(32)19-25-10-9-17-38-25/h6-18,21-22,32-34,36H,19-20H2,1-5H3
• InChIKey: LONDGTMCLLLDCT-UHFFFAOYSA-N
• XLogP: 7.73
• TPSA: 67.10 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	526.68
LogP ≤ 5	7.73
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[2,6-di(propan-2-yl)phenoxy]methyl]-4-methoxyphenyl]-3-(furan-2-ylmethyl)-2,4-dihydro-1H-quinazolin-4-ol?

The IUPAC name of 2-[3-[[2,6-di(propan-2-yl)phenoxy]methyl]-4-methoxyphenyl]-3-(furan-2-ylmethyl)-2,4-dihydro-1H-quinazolin-4-ol (CID 123958245) is 2-[3-[[2,6-di(propan-2-yl)phenoxy]methyl]-4-methoxyphenyl]-3-(furan-2-ylmethyl)-2,4-dihydro-1H-quinazolin-4-ol.

What is the SMILES notation for 2-[3-[[2,6-di(propan-2-yl)phenoxy]methyl]-4-methoxyphenyl]-3-(furan-2-ylmethyl)-2,4-dihydro-1H-quinazolin-4-ol?

The canonical SMILES for 2-[3-[[2,6-di(propan-2-yl)phenoxy]methyl]-4-methoxyphenyl]-3-(furan-2-ylmethyl)-2,4-dihydro-1H-quinazolin-4-ol is COc1ccc(C2Nc3ccccc3C(O)N2Cc2ccco2)cc1COc1c(C(C)C)cccc1C(C)C.

What is the InChIKey of 2-[3-[[2,6-di(propan-2-yl)phenoxy]methyl]-4-methoxyphenyl]-3-(furan-2-ylmethyl)-2,4-dihydro-1H-quinazolin-4-ol?

The InChIKey is LONDGTMCLLLDCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H38N2O4/c1-21(2)26-12-8-13-27(22(3)4)31(26)39-20-24-18-23(15-16-30(24)37-5)32-34-29-14-7-6-11-28(29)33(36)35(32)19-25-10-9-17-38-25/h6-18,21-22,32-34,36H,19-20H2,1-5H3.

What are the key properties of 2-[3-[[2,6-di(propan-2-yl)phenoxy]methyl]-4-methoxyphenyl]-3-(furan-2-ylmethyl)-2,4-dihydro-1H-quinazolin-4-ol?

2-[3-[[2,6-di(propan-2-yl)phenoxy]methyl]-4-methoxyphenyl]-3-(furan-2-ylmethyl)-2,4-dihydro-1H-quinazolin-4-ol has a molecular weight of 526.68 g/mol, XLogP of 7.73, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[[2,6-di(propan-2-yl)phenoxy]methyl]-4-methoxyphenyl]-3-(furan-2-ylmethyl)-2,4-dihydro-1H-quinazolin-4-ol is sourced from PubChem (CID 123958245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).