4-(6-chloro-2,3-dihydroindol-1-yl)-6-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)quinazoline

C23H17ClN6 — CID 171527251

About 4-(6-chloro-2,3-dihydroindol-1-yl)-6-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)quinazoline

4-(6-chloro-2,3-dihydroindol-1-yl)-6-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)quinazoline (PubChem CID 171527251) has the molecular formula C23H17ClN6 and a molecular weight of 412.88 g/mol. Its IUPAC name is 4-(6-chloro-2,3-dihydroindol-1-yl)-6-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)quinazoline.

Molecular Properties

• Compound Name: 4-(6-chloro-2,3-dihydroindol-1-yl)-6-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)quinazoline
• PubChem CID: 171527251
• Molecular Formula: C23H17ClN6
• Molecular Weight: 412.88 g/mol
• Exact Mass: 412.12
• IUPAC Name: 4-(6-chloro-2,3-dihydroindol-1-yl)-6-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)quinazoline
• SMILES: Cc1nc2ncc(-c3ccc4ncnc(N5CCc6ccc(Cl)cc65)c4c3)cc2[nH]1
• InChI: InChI=1S/C23H17ClN6/c1-13-28-20-9-16(11-25-22(20)29-13)15-3-5-19-18(8-15)23(27-12-26-19)30-7-6-14-2-4-17(24)10-21(14)30/h2-5,8-12H,6-7H2,1H3,(H,25,28,29)
• InChIKey: RUPZWNUJCHZRLV-UHFFFAOYSA-N
• XLogP: 5.22
• TPSA: 70.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	412.88
LogP ≤ 5	5.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-(6-chloro-2,3-dihydroindol-1-yl)-6-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)quinazoline?

The IUPAC name of 4-(6-chloro-2,3-dihydroindol-1-yl)-6-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)quinazoline (CID 171527251) is 4-(6-chloro-2,3-dihydroindol-1-yl)-6-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)quinazoline.

What is the SMILES notation for 4-(6-chloro-2,3-dihydroindol-1-yl)-6-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)quinazoline?

The canonical SMILES for 4-(6-chloro-2,3-dihydroindol-1-yl)-6-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)quinazoline is Cc1nc2ncc(-c3ccc4ncnc(N5CCc6ccc(Cl)cc65)c4c3)cc2[nH]1.

What is the InChIKey of 4-(6-chloro-2,3-dihydroindol-1-yl)-6-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)quinazoline?

The InChIKey is RUPZWNUJCHZRLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClN6/c1-13-28-20-9-16(11-25-22(20)29-13)15-3-5-19-18(8-15)23(27-12-26-19)30-7-6-14-2-4-17(24)10-21(14)30/h2-5,8-12H,6-7H2,1H3,(H,25,28,29).

What are the key properties of 4-(6-chloro-2,3-dihydroindol-1-yl)-6-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)quinazoline?

4-(6-chloro-2,3-dihydroindol-1-yl)-6-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)quinazoline has a molecular weight of 412.88 g/mol, XLogP of 5.22, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(6-chloro-2,3-dihydroindol-1-yl)-6-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)quinazoline is sourced from PubChem (CID 171527251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).