(7R)-2-[(6-ethoxy-4-methylquinazolin-2-yl)amino]-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-5-one

C23H21N5O2S — CID 1399618

About (7R)-2-[(6-ethoxy-4-methylquinazolin-2-yl)amino]-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-5-one

(7R)-2-[(6-ethoxy-4-methylquinazolin-2-yl)amino]-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 1399618) has the molecular formula C23H21N5O2S and a molecular weight of 431.52 g/mol. Its IUPAC name is (7R)-2-[(6-ethoxy-4-methylquinazolin-2-yl)amino]-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

• Compound Name: (7R)-2-[(6-ethoxy-4-methylquinazolin-2-yl)amino]-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-5-one
• PubChem CID: 1399618
• Molecular Formula: C23H21N5O2S
• Molecular Weight: 431.52 g/mol
• Exact Mass: 431.14
• IUPAC Name: (7R)-2-[(6-ethoxy-4-methylquinazolin-2-yl)amino]-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-5-one
• SMILES: CCOc1ccc2nc(Nc3ncc4c(n3)C[C@@H](c3cccs3)CC4=O)nc(C)c2c1
• InChI: InChI=1S/C23H21N5O2S/c1-3-30-15-6-7-18-16(11-15)13(2)25-23(26-18)28-22-24-12-17-19(27-22)9-14(10-20(17)29)21-5-4-8-31-21/h4-8,11-12,14H,3,9-10H2,1-2H3,(H,24,25,26,27,28)/t14-/m1/s1
• InChIKey: CRXOTDMKDPATKC-CQSZACIVSA-N
• XLogP: 4.84
• TPSA: 89.89 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	431.52
LogP ≤ 5	4.84
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (7R)-2-[(6-ethoxy-4-methylquinazolin-2-yl)amino]-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-5-one?

The IUPAC name of (7R)-2-[(6-ethoxy-4-methylquinazolin-2-yl)amino]-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-5-one (CID 1399618) is (7R)-2-[(6-ethoxy-4-methylquinazolin-2-yl)amino]-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-5-one.

What is the SMILES notation for (7R)-2-[(6-ethoxy-4-methylquinazolin-2-yl)amino]-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-5-one?

The canonical SMILES for (7R)-2-[(6-ethoxy-4-methylquinazolin-2-yl)amino]-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-5-one is CCOc1ccc2nc(Nc3ncc4c(n3)C[C@@H](c3cccs3)CC4=O)nc(C)c2c1.

What is the InChIKey of (7R)-2-[(6-ethoxy-4-methylquinazolin-2-yl)amino]-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-5-one?

The InChIKey is CRXOTDMKDPATKC-CQSZACIVSA-N. The full InChI is InChI=1S/C23H21N5O2S/c1-3-30-15-6-7-18-16(11-15)13(2)25-23(26-18)28-22-24-12-17-19(27-22)9-14(10-20(17)29)21-5-4-8-31-21/h4-8,11-12,14H,3,9-10H2,1-2H3,(H,24,25,26,27,28)/t14-/m1/s1.

What are the key properties of (7R)-2-[(6-ethoxy-4-methylquinazolin-2-yl)amino]-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-5-one?

(7R)-2-[(6-ethoxy-4-methylquinazolin-2-yl)amino]-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 431.52 g/mol, XLogP of 4.84, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (7R)-2-[(6-ethoxy-4-methylquinazolin-2-yl)amino]-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 1399618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).