[5-[4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)quinazolin-6-yl]-2-methoxy-3-pyridinyl]methanol

C23H18ClFN4O2 — CID 171527269

About [5-[4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)quinazolin-6-yl]-2-methoxy-3-pyridinyl]methanol

[5-[4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)quinazolin-6-yl]-2-methoxy-3-pyridinyl]methanol (PubChem CID 171527269) has the molecular formula C23H18ClFN4O2 and a molecular weight of 436.87 g/mol. Its IUPAC name is [5-[4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)quinazolin-6-yl]-2-methoxy-3-pyridinyl]methanol.

Molecular Properties

• Compound Name: [5-[4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)quinazolin-6-yl]-2-methoxy-3-pyridinyl]methanol
• PubChem CID: 171527269
• Molecular Formula: C23H18ClFN4O2
• Molecular Weight: 436.87 g/mol
• Exact Mass: 436.11
• IUPAC Name: [5-[4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)quinazolin-6-yl]-2-methoxy-3-pyridinyl]methanol
• SMILES: COc1ncc(-c2ccc3ncnc(N4CCc5cc(F)c(Cl)cc54)c3c2)cc1CO
• InChI: InChI=1S/C23H18ClFN4O2/c1-31-23-16(11-30)6-15(10-26-23)13-2-3-20-17(7-13)22(28-12-27-20)29-5-4-14-8-19(25)18(24)9-21(14)29/h2-3,6-10,12,30H,4-5,11H2,1H3
• InChIKey: RJMRWYGUPNBLGN-UHFFFAOYSA-N
• XLogP: 4.68
• TPSA: 71.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	436.87
LogP ≤ 5	4.68
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of [5-[4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)quinazolin-6-yl]-2-methoxy-3-pyridinyl]methanol (CID 171527269) is [5-[4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)quinazolin-6-yl]-2-methoxy-3-pyridinyl]methanol.

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

The canonical SMILES for [5-[4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)quinazolin-6-yl]-2-methoxy-3-pyridinyl]methanol is COc1ncc(-c2ccc3ncnc(N4CCc5cc(F)c(Cl)cc54)c3c2)cc1CO.

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

The InChIKey is RJMRWYGUPNBLGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClFN4O2/c1-31-23-16(11-30)6-15(10-26-23)13-2-3-20-17(7-13)22(28-12-27-20)29-5-4-14-8-19(25)18(24)9-21(14)29/h2-3,6-10,12,30H,4-5,11H2,1H3.

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

[5-[4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)quinazolin-6-yl]-2-methoxy-3-pyridinyl]methanol has a molecular weight of 436.87 g/mol, XLogP of 4.68, 4 rotatable bonds, 1 hydrogen bond donors, and 6 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]-2-methoxy-3-pyridinyl]methanol is sourced from PubChem (CID 171527269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).