(2R)-2-(3-methoxy-2-propan-2-yloxyphenyl)-3-propyl-1,2-dihydroquinazolin-4-one

C21H26N2O3 — CID 9009148

About (2R)-2-(3-methoxy-2-propan-2-yloxyphenyl)-3-propyl-1,2-dihydroquinazolin-4-one

(2R)-2-(3-methoxy-2-propan-2-yloxyphenyl)-3-propyl-1,2-dihydroquinazolin-4-one (PubChem CID 9009148) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is (2R)-2-(3-methoxy-2-propan-2-yloxyphenyl)-3-propyl-1,2-dihydroquinazolin-4-one.

Molecular Properties

• Compound Name: (2R)-2-(3-methoxy-2-propan-2-yloxyphenyl)-3-propyl-1,2-dihydroquinazolin-4-one
• PubChem CID: 9009148
• Molecular Formula: C21H26N2O3
• Molecular Weight: 354.45 g/mol
• Exact Mass: 354.19
• IUPAC Name: (2R)-2-(3-methoxy-2-propan-2-yloxyphenyl)-3-propyl-1,2-dihydroquinazolin-4-one
• SMILES: CCCN1C(=O)c2ccccc2N[C@H]1c1cccc(OC)c1OC(C)C
• InChI: InChI=1S/C21H26N2O3/c1-5-13-23-20(22-17-11-7-6-9-15(17)21(23)24)16-10-8-12-18(25-4)19(16)26-14(2)3/h6-12,14,20,22H,5,13H2,1-4H3/t20-/m1/s1
• InChIKey: JZLMMYAYJMJHHQ-HXUWFJFHSA-N
• XLogP: 4.46
• TPSA: 50.80 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	354.45
LogP ≤ 5	4.46
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of (2R)-2-(3-methoxy-2-propan-2-yloxyphenyl)-3-propyl-1,2-dihydroquinazolin-4-one (CID 9009148) is (2R)-2-(3-methoxy-2-propan-2-yloxyphenyl)-3-propyl-1,2-dihydroquinazolin-4-one.

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

The canonical SMILES for (2R)-2-(3-methoxy-2-propan-2-yloxyphenyl)-3-propyl-1,2-dihydroquinazolin-4-one is CCCN1C(=O)c2ccccc2N[C@H]1c1cccc(OC)c1OC(C)C.

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

The InChIKey is JZLMMYAYJMJHHQ-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-5-13-23-20(22-17-11-7-6-9-15(17)21(23)24)16-10-8-12-18(25-4)19(16)26-14(2)3/h6-12,14,20,22H,5,13H2,1-4H3/t20-/m1/s1.

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

(2R)-2-(3-methoxy-2-propan-2-yloxyphenyl)-3-propyl-1,2-dihydroquinazolin-4-one has a molecular weight of 354.45 g/mol, XLogP of 4.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-(3-methoxy-2-propan-2-yloxyphenyl)-3-propyl-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 9009148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).