5-[4-(6-chloro-2,3-dihydroindol-1-yl)quinazolin-6-yl]-3-(trifluoromethyl)pyridin-2-amine

C22H15ClF3N5 — CID 162639344

About 5-[4-(6-chloro-2,3-dihydroindol-1-yl)quinazolin-6-yl]-3-(trifluoromethyl)pyridin-2-amine

5-[4-(6-chloro-2,3-dihydroindol-1-yl)quinazolin-6-yl]-3-(trifluoromethyl)pyridin-2-amine (PubChem CID 162639344) has the molecular formula C22H15ClF3N5 and a molecular weight of 441.84 g/mol. Its IUPAC name is 5-[4-(6-chloro-2,3-dihydroindol-1-yl)quinazolin-6-yl]-3-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

• Compound Name: 5-[4-(6-chloro-2,3-dihydroindol-1-yl)quinazolin-6-yl]-3-(trifluoromethyl)pyridin-2-amine
• PubChem CID: 162639344
• Molecular Formula: C22H15ClF3N5
• Molecular Weight: 441.84 g/mol
• Exact Mass: 441.10
• IUPAC Name: 5-[4-(6-chloro-2,3-dihydroindol-1-yl)quinazolin-6-yl]-3-(trifluoromethyl)pyridin-2-amine
• SMILES: Nc1ncc(-c2ccc3ncnc(N4CCc5ccc(Cl)cc54)c3c2)cc1C(F)(F)F
• InChI: InChI=1S/C22H15ClF3N5/c23-15-3-1-12-5-6-31(19(12)9-15)21-16-7-13(2-4-18(16)29-11-30-21)14-8-17(22(24,25)26)20(27)28-10-14/h1-4,7-11H,5-6H2,(H2,27,28)
• InChIKey: LTHGKLVERUPOMA-UHFFFAOYSA-N
• XLogP: 5.64
• TPSA: 67.93 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	441.84
LogP ≤ 5	5.64
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-[4-(6-chloro-2,3-dihydroindol-1-yl)quinazolin-6-yl]-3-(trifluoromethyl)pyridin-2-amine?

The IUPAC name of 5-[4-(6-chloro-2,3-dihydroindol-1-yl)quinazolin-6-yl]-3-(trifluoromethyl)pyridin-2-amine (CID 162639344) is 5-[4-(6-chloro-2,3-dihydroindol-1-yl)quinazolin-6-yl]-3-(trifluoromethyl)pyridin-2-amine.

What is the SMILES notation for 5-[4-(6-chloro-2,3-dihydroindol-1-yl)quinazolin-6-yl]-3-(trifluoromethyl)pyridin-2-amine?

The canonical SMILES for 5-[4-(6-chloro-2,3-dihydroindol-1-yl)quinazolin-6-yl]-3-(trifluoromethyl)pyridin-2-amine is Nc1ncc(-c2ccc3ncnc(N4CCc5ccc(Cl)cc54)c3c2)cc1C(F)(F)F.

What is the InChIKey of 5-[4-(6-chloro-2,3-dihydroindol-1-yl)quinazolin-6-yl]-3-(trifluoromethyl)pyridin-2-amine?

The InChIKey is LTHGKLVERUPOMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClF3N5/c23-15-3-1-12-5-6-31(19(12)9-15)21-16-7-13(2-4-18(16)29-11-30-21)14-8-17(22(24,25)26)20(27)28-10-14/h1-4,7-11H,5-6H2,(H2,27,28).

What are the key properties of 5-[4-(6-chloro-2,3-dihydroindol-1-yl)quinazolin-6-yl]-3-(trifluoromethyl)pyridin-2-amine?

5-[4-(6-chloro-2,3-dihydroindol-1-yl)quinazolin-6-yl]-3-(trifluoromethyl)pyridin-2-amine has a molecular weight of 441.84 g/mol, XLogP of 5.64, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-(6-chloro-2,3-dihydroindol-1-yl)quinazolin-6-yl]-3-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 162639344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).