1-(4-chlorophenyl)-3-[(7R)-5-oxo-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-2-yl]urea

C19H15ClN4O2S — CID 7731993

About 1-(4-chlorophenyl)-3-[(7R)-5-oxo-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-2-yl]urea

1-(4-chlorophenyl)-3-[(7R)-5-oxo-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-2-yl]urea (PubChem CID 7731993) has the molecular formula C19H15ClN4O2S and a molecular weight of 398.88 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[(7R)-5-oxo-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-2-yl]urea.

Molecular Properties

• Compound Name: 1-(4-chlorophenyl)-3-[(7R)-5-oxo-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-2-yl]urea
• PubChem CID: 7731993
• Molecular Formula: C19H15ClN4O2S
• Molecular Weight: 398.88 g/mol
• Exact Mass: 398.06
• IUPAC Name: 1-(4-chlorophenyl)-3-[(7R)-5-oxo-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-2-yl]urea
• SMILES: O=C(Nc1ccc(Cl)cc1)Nc1ncc2c(n1)C[C@@H](c1cccs1)CC2=O
• InChI: InChI=1S/C19H15ClN4O2S/c20-12-3-5-13(6-4-12)22-19(26)24-18-21-10-14-15(23-18)8-11(9-16(14)25)17-2-1-7-27-17/h1-7,10-11H,8-9H2,(H2,21,22,23,24,26)/t11-/m1/s1
• InChIKey: XTBIMNJHRLMFEZ-LLVKDONJSA-N
• XLogP: 4.75
• TPSA: 83.98 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	398.88
LogP ≤ 5	4.75
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[(7R)-5-oxo-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-2-yl]urea?

The IUPAC name of 1-(4-chlorophenyl)-3-[(7R)-5-oxo-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-2-yl]urea (CID 7731993) is 1-(4-chlorophenyl)-3-[(7R)-5-oxo-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-2-yl]urea.

What is the SMILES notation for 1-(4-chlorophenyl)-3-[(7R)-5-oxo-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-2-yl]urea?

The canonical SMILES for 1-(4-chlorophenyl)-3-[(7R)-5-oxo-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-2-yl]urea is O=C(Nc1ccc(Cl)cc1)Nc1ncc2c(n1)C[C@@H](c1cccs1)CC2=O.

What is the InChIKey of 1-(4-chlorophenyl)-3-[(7R)-5-oxo-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-2-yl]urea?

The InChIKey is XTBIMNJHRLMFEZ-LLVKDONJSA-N. The full InChI is InChI=1S/C19H15ClN4O2S/c20-12-3-5-13(6-4-12)22-19(26)24-18-21-10-14-15(23-18)8-11(9-16(14)25)17-2-1-7-27-17/h1-7,10-11H,8-9H2,(H2,21,22,23,24,26)/t11-/m1/s1.

What are the key properties of 1-(4-chlorophenyl)-3-[(7R)-5-oxo-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-2-yl]urea?

1-(4-chlorophenyl)-3-[(7R)-5-oxo-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-2-yl]urea has a molecular weight of 398.88 g/mol, XLogP of 4.75, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-chlorophenyl)-3-[(7R)-5-oxo-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-2-yl]urea is sourced from PubChem (CID 7731993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).