6-chloro-2-[(3R)-3-(furan-2-yl)-5-(2-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-phenylquinazoline

C28H21ClN4O2 — CID 41035430

About 6-chloro-2-[(3R)-3-(furan-2-yl)-5-(2-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-phenylquinazoline

6-chloro-2-[(3R)-3-(furan-2-yl)-5-(2-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-phenylquinazoline (PubChem CID 41035430) has the molecular formula C28H21ClN4O2 and a molecular weight of 480.96 g/mol. Its IUPAC name is 6-chloro-2-[(3R)-3-(furan-2-yl)-5-(2-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-phenylquinazoline.

Molecular Properties

• Compound Name: 6-chloro-2-[(3R)-3-(furan-2-yl)-5-(2-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-phenylquinazoline
• PubChem CID: 41035430
• Molecular Formula: C28H21ClN4O2
• Molecular Weight: 480.96 g/mol
• Exact Mass: 480.14
• IUPAC Name: 6-chloro-2-[(3R)-3-(furan-2-yl)-5-(2-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-phenylquinazoline
• SMILES: COc1ccccc1C1=NN(c2nc(-c3ccccc3)c3cc(Cl)ccc3n2)[C@@H](c2ccco2)C1
• InChI: InChI=1S/C28H21ClN4O2/c1-34-25-11-6-5-10-20(25)23-17-24(26-12-7-15-35-26)33(32-23)28-30-22-14-13-19(29)16-21(22)27(31-28)18-8-3-2-4-9-18/h2-16,24H,17H2,1H3/t24-/m1/s1
• InChIKey: LQRWCQXUIFSJPP-XMMPIXPASA-N
• XLogP: 6.91
• TPSA: 63.75 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	480.96
LogP ≤ 5	6.91
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[(3R)-3-(furan-2-yl)-5-(2-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-phenylquinazoline?

The IUPAC name of 6-chloro-2-[(3R)-3-(furan-2-yl)-5-(2-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-phenylquinazoline (CID 41035430) is 6-chloro-2-[(3R)-3-(furan-2-yl)-5-(2-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-phenylquinazoline.

What is the SMILES notation for 6-chloro-2-[(3R)-3-(furan-2-yl)-5-(2-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-phenylquinazoline?

The canonical SMILES for 6-chloro-2-[(3R)-3-(furan-2-yl)-5-(2-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-phenylquinazoline is COc1ccccc1C1=NN(c2nc(-c3ccccc3)c3cc(Cl)ccc3n2)[C@@H](c2ccco2)C1.

What is the InChIKey of 6-chloro-2-[(3R)-3-(furan-2-yl)-5-(2-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-phenylquinazoline?

The InChIKey is LQRWCQXUIFSJPP-XMMPIXPASA-N. The full InChI is InChI=1S/C28H21ClN4O2/c1-34-25-11-6-5-10-20(25)23-17-24(26-12-7-15-35-26)33(32-23)28-30-22-14-13-19(29)16-21(22)27(31-28)18-8-3-2-4-9-18/h2-16,24H,17H2,1H3/t24-/m1/s1.

What are the key properties of 6-chloro-2-[(3R)-3-(furan-2-yl)-5-(2-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-phenylquinazoline?

6-chloro-2-[(3R)-3-(furan-2-yl)-5-(2-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-phenylquinazoline has a molecular weight of 480.96 g/mol, XLogP of 6.91, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-2-[(3R)-3-(furan-2-yl)-5-(2-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-phenylquinazoline is sourced from PubChem (CID 41035430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).