2-amino-N-[4-chloro-2-[(8-chloro-11H-indolo[3,2-c]quinolin-6-yl)oxy]phenyl]benzamide

C28H18Cl2N4O2 — CID 164522389

About 2-amino-N-[4-chloro-2-[(8-chloro-11H-indolo[3,2-c]quinolin-6-yl)oxy]phenyl]benzamide

2-amino-N-[4-chloro-2-[(8-chloro-11H-indolo[3,2-c]quinolin-6-yl)oxy]phenyl]benzamide (PubChem CID 164522389) has the molecular formula C28H18Cl2N4O2 and a molecular weight of 513.38 g/mol. Its IUPAC name is 2-amino-N-[4-chloro-2-[(8-chloro-11H-indolo[3,2-c]quinolin-6-yl)oxy]phenyl]benzamide.

Molecular Properties

• Compound Name: 2-amino-N-[4-chloro-2-[(8-chloro-11H-indolo[3,2-c]quinolin-6-yl)oxy]phenyl]benzamide
• PubChem CID: 164522389
• Molecular Formula: C28H18Cl2N4O2
• Molecular Weight: 513.38 g/mol
• Exact Mass: 512.08
• IUPAC Name: 2-amino-N-[4-chloro-2-[(8-chloro-11H-indolo[3,2-c]quinolin-6-yl)oxy]phenyl]benzamide
• SMILES: Nc1ccccc1C(=O)Nc1ccc(Cl)cc1Oc1nc2ccccc2c2[nH]c3ccc(Cl)cc3c12
• InChI: InChI=1S/C28H18Cl2N4O2/c29-15-9-11-22-19(13-15)25-26(32-22)18-6-2-4-8-21(18)34-28(25)36-24-14-16(30)10-12-23(24)33-27(35)17-5-1-3-7-20(17)31/h1-14,32H,31H2,(H,33,35)
• InChIKey: JBXDMGBIZRHLDQ-UHFFFAOYSA-N
• XLogP: 7.80
• TPSA: 93.03 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	513.38
LogP ≤ 5	7.80
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-chloro-2-[(8-chloro-11H-indolo[3,2-c]quinolin-6-yl)oxy]phenyl]benzamide?

The IUPAC name of 2-amino-N-[4-chloro-2-[(8-chloro-11H-indolo[3,2-c]quinolin-6-yl)oxy]phenyl]benzamide (CID 164522389) is 2-amino-N-[4-chloro-2-[(8-chloro-11H-indolo[3,2-c]quinolin-6-yl)oxy]phenyl]benzamide.

What is the SMILES notation for 2-amino-N-[4-chloro-2-[(8-chloro-11H-indolo[3,2-c]quinolin-6-yl)oxy]phenyl]benzamide?

The canonical SMILES for 2-amino-N-[4-chloro-2-[(8-chloro-11H-indolo[3,2-c]quinolin-6-yl)oxy]phenyl]benzamide is Nc1ccccc1C(=O)Nc1ccc(Cl)cc1Oc1nc2ccccc2c2[nH]c3ccc(Cl)cc3c12.

What is the InChIKey of 2-amino-N-[4-chloro-2-[(8-chloro-11H-indolo[3,2-c]quinolin-6-yl)oxy]phenyl]benzamide?

The InChIKey is JBXDMGBIZRHLDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H18Cl2N4O2/c29-15-9-11-22-19(13-15)25-26(32-22)18-6-2-4-8-21(18)34-28(25)36-24-14-16(30)10-12-23(24)33-27(35)17-5-1-3-7-20(17)31/h1-14,32H,31H2,(H,33,35).

What are the key properties of 2-amino-N-[4-chloro-2-[(8-chloro-11H-indolo[3,2-c]quinolin-6-yl)oxy]phenyl]benzamide?

2-amino-N-[4-chloro-2-[(8-chloro-11H-indolo[3,2-c]quinolin-6-yl)oxy]phenyl]benzamide has a molecular weight of 513.38 g/mol, XLogP of 7.80, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-N-[4-chloro-2-[(8-chloro-11H-indolo[3,2-c]quinolin-6-yl)oxy]phenyl]benzamide is sourced from PubChem (CID 164522389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).