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

C22H17ClFN5O — CID 171527216

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

[2-amino-5-[4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)quinazolin-6-yl]-3-pyridinyl]methanol (PubChem CID 171527216) has the molecular formula C22H17ClFN5O and a molecular weight of 421.86 g/mol. Its IUPAC name is [2-amino-5-[4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)quinazolin-6-yl]-3-pyridinyl]methanol.

Molecular Properties

• Compound Name: [2-amino-5-[4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)quinazolin-6-yl]-3-pyridinyl]methanol
• PubChem CID: 171527216
• Molecular Formula: C22H17ClFN5O
• Molecular Weight: 421.86 g/mol
• Exact Mass: 421.11
• IUPAC Name: [2-amino-5-[4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)quinazolin-6-yl]-3-pyridinyl]methanol
• SMILES: Nc1ncc(-c2ccc3ncnc(N4CCc5cc(F)c(Cl)cc54)c3c2)cc1CO
• InChI: InChI=1S/C22H17ClFN5O/c23-17-8-20-13(7-18(17)24)3-4-29(20)22-16-6-12(1-2-19(16)27-11-28-22)14-5-15(10-30)21(25)26-9-14/h1-2,5-9,11,30H,3-4,10H2,(H2,25,26)
• InChIKey: HOIAVZVYNLZCRO-UHFFFAOYSA-N
• XLogP: 4.25
• TPSA: 88.16 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	421.86
LogP ≤ 5	4.25
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of [2-amino-5-[4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)quinazolin-6-yl]-3-pyridinyl]methanol (CID 171527216) is [2-amino-5-[4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)quinazolin-6-yl]-3-pyridinyl]methanol.

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

The canonical SMILES for [2-amino-5-[4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)quinazolin-6-yl]-3-pyridinyl]methanol is Nc1ncc(-c2ccc3ncnc(N4CCc5cc(F)c(Cl)cc54)c3c2)cc1CO.

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

The InChIKey is HOIAVZVYNLZCRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClFN5O/c23-17-8-20-13(7-18(17)24)3-4-29(20)22-16-6-12(1-2-19(16)27-11-28-22)14-5-15(10-30)21(25)26-9-14/h1-2,5-9,11,30H,3-4,10H2,(H2,25,26).

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

[2-amino-5-[4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)quinazolin-6-yl]-3-pyridinyl]methanol has a molecular weight of 421.86 g/mol, XLogP of 4.25, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [2-amino-5-[4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)quinazolin-6-yl]-3-pyridinyl]methanol is sourced from PubChem (CID 171527216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).