3-butan-2-yl-2-(3-methoxy-4-propan-2-yloxyphenyl)-1,2-dihydroquinazolin-4-one

C22H28N2O3 — CID 54779036

About 3-butan-2-yl-2-(3-methoxy-4-propan-2-yloxyphenyl)-1,2-dihydroquinazolin-4-one

3-butan-2-yl-2-(3-methoxy-4-propan-2-yloxyphenyl)-1,2-dihydroquinazolin-4-one (PubChem CID 54779036) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is 3-butan-2-yl-2-(3-methoxy-4-propan-2-yloxyphenyl)-1,2-dihydroquinazolin-4-one.

Molecular Properties

• Compound Name: 3-butan-2-yl-2-(3-methoxy-4-propan-2-yloxyphenyl)-1,2-dihydroquinazolin-4-one
• PubChem CID: 54779036
• Molecular Formula: C22H28N2O3
• Molecular Weight: 368.48 g/mol
• Exact Mass: 368.21
• IUPAC Name: 3-butan-2-yl-2-(3-methoxy-4-propan-2-yloxyphenyl)-1,2-dihydroquinazolin-4-one
• SMILES: CCC(C)N1C(=O)c2ccccc2NC1c1ccc(OC(C)C)c(OC)c1
• InChI: InChI=1S/C22H28N2O3/c1-6-15(4)24-21(23-18-10-8-7-9-17(18)22(24)25)16-11-12-19(27-14(2)3)20(13-16)26-5/h7-15,21,23H,6H2,1-5H3
• InChIKey: KQGREUQRFRSWPG-UHFFFAOYSA-N
• XLogP: 4.85
• TPSA: 50.80 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	368.48
LogP ≤ 5	4.85
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-2-(3-methoxy-4-propan-2-yloxyphenyl)-1,2-dihydroquinazolin-4-one?

The IUPAC name of 3-butan-2-yl-2-(3-methoxy-4-propan-2-yloxyphenyl)-1,2-dihydroquinazolin-4-one (CID 54779036) is 3-butan-2-yl-2-(3-methoxy-4-propan-2-yloxyphenyl)-1,2-dihydroquinazolin-4-one.

What is the SMILES notation for 3-butan-2-yl-2-(3-methoxy-4-propan-2-yloxyphenyl)-1,2-dihydroquinazolin-4-one?

The canonical SMILES for 3-butan-2-yl-2-(3-methoxy-4-propan-2-yloxyphenyl)-1,2-dihydroquinazolin-4-one is CCC(C)N1C(=O)c2ccccc2NC1c1ccc(OC(C)C)c(OC)c1.

What is the InChIKey of 3-butan-2-yl-2-(3-methoxy-4-propan-2-yloxyphenyl)-1,2-dihydroquinazolin-4-one?

The InChIKey is KQGREUQRFRSWPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-6-15(4)24-21(23-18-10-8-7-9-17(18)22(24)25)16-11-12-19(27-14(2)3)20(13-16)26-5/h7-15,21,23H,6H2,1-5H3.

What are the key properties of 3-butan-2-yl-2-(3-methoxy-4-propan-2-yloxyphenyl)-1,2-dihydroquinazolin-4-one?

3-butan-2-yl-2-(3-methoxy-4-propan-2-yloxyphenyl)-1,2-dihydroquinazolin-4-one has a molecular weight of 368.48 g/mol, XLogP of 4.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-butan-2-yl-2-(3-methoxy-4-propan-2-yloxyphenyl)-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 54779036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).