5-[4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)quinazolin-6-yl]pyridine-2-carbaldehyde

C22H14ClFN4O — CID 171527023

About 5-[4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)quinazolin-6-yl]pyridine-2-carbaldehyde

5-[4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)quinazolin-6-yl]pyridine-2-carbaldehyde (PubChem CID 171527023) has the molecular formula C22H14ClFN4O and a molecular weight of 404.83 g/mol. Its IUPAC name is 5-[4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)quinazolin-6-yl]pyridine-2-carbaldehyde.

Molecular Properties

• Compound Name: 5-[4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)quinazolin-6-yl]pyridine-2-carbaldehyde
• PubChem CID: 171527023
• Molecular Formula: C22H14ClFN4O
• Molecular Weight: 404.83 g/mol
• Exact Mass: 404.08
• IUPAC Name: 5-[4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)quinazolin-6-yl]pyridine-2-carbaldehyde
• SMILES: O=Cc1ccc(-c2ccc3ncnc(N4CCc5cc(F)c(Cl)cc54)c3c2)cn1
• InChI: InChI=1S/C22H14ClFN4O/c23-18-9-21-14(8-19(18)24)5-6-28(21)22-17-7-13(2-4-20(17)26-12-27-22)15-1-3-16(11-29)25-10-15/h1-4,7-12H,5-6H2
• InChIKey: OZXHZOMQIBPXFX-UHFFFAOYSA-N
• XLogP: 4.99
• TPSA: 58.98 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	404.83
LogP ≤ 5	4.99
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)quinazolin-6-yl]pyridine-2-carbaldehyde?

The IUPAC name of 5-[4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)quinazolin-6-yl]pyridine-2-carbaldehyde (CID 171527023) is 5-[4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)quinazolin-6-yl]pyridine-2-carbaldehyde.

What is the SMILES notation for 5-[4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)quinazolin-6-yl]pyridine-2-carbaldehyde?

The canonical SMILES for 5-[4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)quinazolin-6-yl]pyridine-2-carbaldehyde is O=Cc1ccc(-c2ccc3ncnc(N4CCc5cc(F)c(Cl)cc54)c3c2)cn1.

What is the InChIKey of 5-[4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)quinazolin-6-yl]pyridine-2-carbaldehyde?

The InChIKey is OZXHZOMQIBPXFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14ClFN4O/c23-18-9-21-14(8-19(18)24)5-6-28(21)22-17-7-13(2-4-20(17)26-12-27-22)15-1-3-16(11-29)25-10-15/h1-4,7-12H,5-6H2.

What are the key properties of 5-[4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)quinazolin-6-yl]pyridine-2-carbaldehyde?

5-[4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)quinazolin-6-yl]pyridine-2-carbaldehyde has a molecular weight of 404.83 g/mol, XLogP of 4.99, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)quinazolin-6-yl]pyridine-2-carbaldehyde is sourced from PubChem (CID 171527023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).