5-chloro-7-[(E)-1-(5-chloro-8-hydroxyquinolin-7-yl)-3-(4-methoxyphenyl)prop-2-enyl]quinolin-8-ol

C28H20Cl2N2O3 — CID 26366958

About 5-chloro-7-[(E)-1-(5-chloro-8-hydroxyquinolin-7-yl)-3-(4-methoxyphenyl)prop-2-enyl]quinolin-8-ol

5-chloro-7-[(E)-1-(5-chloro-8-hydroxyquinolin-7-yl)-3-(4-methoxyphenyl)prop-2-enyl]quinolin-8-ol (PubChem CID 26366958) has the molecular formula C28H20Cl2N2O3 and a molecular weight of 503.39 g/mol. Its IUPAC name is 5-chloro-7-[(E)-1-(5-chloro-8-hydroxyquinolin-7-yl)-3-(4-methoxyphenyl)prop-2-enyl]quinolin-8-ol.

Molecular Properties

• Compound Name: 5-chloro-7-[(E)-1-(5-chloro-8-hydroxyquinolin-7-yl)-3-(4-methoxyphenyl)prop-2-enyl]quinolin-8-ol
• PubChem CID: 26366958
• Molecular Formula: C28H20Cl2N2O3
• Molecular Weight: 503.39 g/mol
• Exact Mass: 502.09
• IUPAC Name: 5-chloro-7-[(E)-1-(5-chloro-8-hydroxyquinolin-7-yl)-3-(4-methoxyphenyl)prop-2-enyl]quinolin-8-ol
• SMILES: COc1ccc(/C=C/C(c2cc(Cl)c3cccnc3c2O)c2cc(Cl)c3cccnc3c2O)cc1
• InChI: InChI=1S/C28H20Cl2N2O3/c1-35-17-9-6-16(7-10-17)8-11-18(21-14-23(29)19-4-2-12-31-25(19)27(21)33)22-15-24(30)20-5-3-13-32-26(20)28(22)34/h2-15,18,33-34H,1H3/b11-8+
• InChIKey: IYDFRESBWCWNRE-DHZHZOJOSA-N
• XLogP: 7.35
• TPSA: 75.47 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	503.39
LogP ≤ 5	7.35
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-chloro-7-[(E)-1-(5-chloro-8-hydroxyquinolin-7-yl)-3-(4-methoxyphenyl)prop-2-enyl]quinolin-8-ol?

The IUPAC name of 5-chloro-7-[(E)-1-(5-chloro-8-hydroxyquinolin-7-yl)-3-(4-methoxyphenyl)prop-2-enyl]quinolin-8-ol (CID 26366958) is 5-chloro-7-[(E)-1-(5-chloro-8-hydroxyquinolin-7-yl)-3-(4-methoxyphenyl)prop-2-enyl]quinolin-8-ol.

What is the SMILES notation for 5-chloro-7-[(E)-1-(5-chloro-8-hydroxyquinolin-7-yl)-3-(4-methoxyphenyl)prop-2-enyl]quinolin-8-ol?

The canonical SMILES for 5-chloro-7-[(E)-1-(5-chloro-8-hydroxyquinolin-7-yl)-3-(4-methoxyphenyl)prop-2-enyl]quinolin-8-ol is COc1ccc(/C=C/C(c2cc(Cl)c3cccnc3c2O)c2cc(Cl)c3cccnc3c2O)cc1.

What is the InChIKey of 5-chloro-7-[(E)-1-(5-chloro-8-hydroxyquinolin-7-yl)-3-(4-methoxyphenyl)prop-2-enyl]quinolin-8-ol?

The InChIKey is IYDFRESBWCWNRE-DHZHZOJOSA-N. The full InChI is InChI=1S/C28H20Cl2N2O3/c1-35-17-9-6-16(7-10-17)8-11-18(21-14-23(29)19-4-2-12-31-25(19)27(21)33)22-15-24(30)20-5-3-13-32-26(20)28(22)34/h2-15,18,33-34H,1H3/b11-8+.

What are the key properties of 5-chloro-7-[(E)-1-(5-chloro-8-hydroxyquinolin-7-yl)-3-(4-methoxyphenyl)prop-2-enyl]quinolin-8-ol?

5-chloro-7-[(E)-1-(5-chloro-8-hydroxyquinolin-7-yl)-3-(4-methoxyphenyl)prop-2-enyl]quinolin-8-ol has a molecular weight of 503.39 g/mol, XLogP of 7.35, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-7-[(E)-1-(5-chloro-8-hydroxyquinolin-7-yl)-3-(4-methoxyphenyl)prop-2-enyl]quinolin-8-ol is sourced from PubChem (CID 26366958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).