4-(4-chlorophenyl)-2-[(3S)-5-(2-methoxyphenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]quinazoline

C28H21ClN4OS — CID 99797690

About 4-(4-chlorophenyl)-2-[(3S)-5-(2-methoxyphenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]quinazoline

4-(4-chlorophenyl)-2-[(3S)-5-(2-methoxyphenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]quinazoline (PubChem CID 99797690) has the molecular formula C28H21ClN4OS and a molecular weight of 497.02 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-2-[(3S)-5-(2-methoxyphenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]quinazoline.

Molecular Properties

• Compound Name: 4-(4-chlorophenyl)-2-[(3S)-5-(2-methoxyphenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]quinazoline
• PubChem CID: 99797690
• Molecular Formula: C28H21ClN4OS
• Molecular Weight: 497.02 g/mol
• Exact Mass: 496.11
• IUPAC Name: 4-(4-chlorophenyl)-2-[(3S)-5-(2-methoxyphenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]quinazoline
• SMILES: COc1ccccc1C1=NN(c2nc(-c3ccc(Cl)cc3)c3ccccc3n2)[C@H](c2cccs2)C1
• InChI: InChI=1S/C28H21ClN4OS/c1-34-25-10-5-3-7-20(25)23-17-24(26-11-6-16-35-26)33(32-23)28-30-22-9-4-2-8-21(22)27(31-28)18-12-14-19(29)15-13-18/h2-16,24H,17H2,1H3/t24-/m0/s1
• InChIKey: WASHGFHLFDFURJ-DEOSSOPVSA-N
• XLogP: 7.38
• TPSA: 50.61 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	497.02
LogP ≤ 5	7.38
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-2-[(3S)-5-(2-methoxyphenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]quinazoline?

The IUPAC name of 4-(4-chlorophenyl)-2-[(3S)-5-(2-methoxyphenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]quinazoline (CID 99797690) is 4-(4-chlorophenyl)-2-[(3S)-5-(2-methoxyphenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]quinazoline.

What is the SMILES notation for 4-(4-chlorophenyl)-2-[(3S)-5-(2-methoxyphenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]quinazoline?

The canonical SMILES for 4-(4-chlorophenyl)-2-[(3S)-5-(2-methoxyphenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]quinazoline is COc1ccccc1C1=NN(c2nc(-c3ccc(Cl)cc3)c3ccccc3n2)[C@H](c2cccs2)C1.

What is the InChIKey of 4-(4-chlorophenyl)-2-[(3S)-5-(2-methoxyphenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]quinazoline?

The InChIKey is WASHGFHLFDFURJ-DEOSSOPVSA-N. The full InChI is InChI=1S/C28H21ClN4OS/c1-34-25-10-5-3-7-20(25)23-17-24(26-11-6-16-35-26)33(32-23)28-30-22-9-4-2-8-21(22)27(31-28)18-12-14-19(29)15-13-18/h2-16,24H,17H2,1H3/t24-/m0/s1.

What are the key properties of 4-(4-chlorophenyl)-2-[(3S)-5-(2-methoxyphenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]quinazoline?

4-(4-chlorophenyl)-2-[(3S)-5-(2-methoxyphenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]quinazoline has a molecular weight of 497.02 g/mol, XLogP of 7.38, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(4-chlorophenyl)-2-[(3S)-5-(2-methoxyphenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]quinazoline is sourced from PubChem (CID 99797690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).