5-[3-(4-aminoquinazolin-6-yl)-2-pyridinyl]-4-chloro-2-fluorophenol

C19H12ClFN4O — CID 118437793

IUPAC5-[3-(4-aminoquinazolin-6-yl)-2-pyridinyl]-4-chloro-2-fluorophenol
SMILESNc1ncnc2ccc(-c3cccnc3-c3cc(O)c(F)cc3Cl)cc12
InChIInChI=1S/C19H12ClFN4O/c20-14-8-15(21)17(26)7-12(14)18-11(2-1-5-23-18)10-3-4-16-13(6-10)19(22)25-9-24-16/h1-9,26H,(H2,22,24,25)
InChIKeyXNQKMHOHLWJGTD-UHFFFAOYSA-N
MW366.78 g/mol
LogP4.44
Rot. Bonds2

About 5-[3-(4-aminoquinazolin-6-yl)-2-pyridinyl]-4-chloro-2-fluorophenol

5-[3-(4-aminoquinazolin-6-yl)-2-pyridinyl]-4-chloro-2-fluorophenol (PubChem CID 118437793) has the molecular formula C19H12ClFN4O and a molecular weight of 366.78 g/mol. Its IUPAC name is 5-[3-(4-aminoquinazolin-6-yl)-2-pyridinyl]-4-chloro-2-fluorophenol.

Molecular Properties

Compound Name5-[3-(4-aminoquinazolin-6-yl)-2-pyridinyl]-4-chloro-2-fluorophenol
PubChem CID118437793
Molecular FormulaC19H12ClFN4O
Molecular Weight366.78 g/mol
Exact Mass366.07
IUPAC Name5-[3-(4-aminoquinazolin-6-yl)-2-pyridinyl]-4-chloro-2-fluorophenol
SMILESNc1ncnc2ccc(-c3cccnc3-c3cc(O)c(F)cc3Cl)cc12
InChIInChI=1S/C19H12ClFN4O/c20-14-8-15(21)17(26)7-12(14)18-11(2-1-5-23-18)10-3-4-16-13(6-10)19(22)25-9-24-16/h1-9,26H,(H2,22,24,25)
InChIKeyXNQKMHOHLWJGTD-UHFFFAOYSA-N
XLogP4.44
TPSA84.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.78
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(4-aminoquinazolin-6-yl)-2-pyridinyl]-4-chloro-2-fluorophenol?
The IUPAC name of 5-[3-(4-aminoquinazolin-6-yl)-2-pyridinyl]-4-chloro-2-fluorophenol (CID 118437793) is 5-[3-(4-aminoquinazolin-6-yl)-2-pyridinyl]-4-chloro-2-fluorophenol.
What is the SMILES notation for 5-[3-(4-aminoquinazolin-6-yl)-2-pyridinyl]-4-chloro-2-fluorophenol?
The canonical SMILES for 5-[3-(4-aminoquinazolin-6-yl)-2-pyridinyl]-4-chloro-2-fluorophenol is Nc1ncnc2ccc(-c3cccnc3-c3cc(O)c(F)cc3Cl)cc12.
What is the InChIKey of 5-[3-(4-aminoquinazolin-6-yl)-2-pyridinyl]-4-chloro-2-fluorophenol?
The InChIKey is XNQKMHOHLWJGTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClFN4O/c20-14-8-15(21)17(26)7-12(14)18-11(2-1-5-23-18)10-3-4-16-13(6-10)19(22)25-9-24-16/h1-9,26H,(H2,22,24,25).
What are the key properties of 5-[3-(4-aminoquinazolin-6-yl)-2-pyridinyl]-4-chloro-2-fluorophenol?
5-[3-(4-aminoquinazolin-6-yl)-2-pyridinyl]-4-chloro-2-fluorophenol has a molecular weight of 366.78 g/mol, XLogP of 4.44, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(4-aminoquinazolin-6-yl)-2-pyridinyl]-4-chloro-2-fluorophenol is sourced from PubChem (CID 118437793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).