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

C19H13FN4O — CID 90095163

IUPAC3-[3-(4-aminoquinazolin-6-yl)-2-pyridinyl]-5-fluorophenol
SMILESNc1ncnc2ccc(-c3cccnc3-c3cc(O)cc(F)c3)cc12
InChIInChI=1S/C19H13FN4O/c20-13-6-12(7-14(25)9-13)18-15(2-1-5-22-18)11-3-4-17-16(8-11)19(21)24-10-23-17/h1-10,25H,(H2,21,23,24)
InChIKeyWIOOVCCVFLDYHT-UHFFFAOYSA-N
MW332.34 g/mol
LogP3.79
Rot. Bonds2

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

3-[3-(4-aminoquinazolin-6-yl)-2-pyridinyl]-5-fluorophenol (PubChem CID 90095163) has the molecular formula C19H13FN4O and a molecular weight of 332.34 g/mol. Its IUPAC name is 3-[3-(4-aminoquinazolin-6-yl)-2-pyridinyl]-5-fluorophenol.

Molecular Properties

Compound Name3-[3-(4-aminoquinazolin-6-yl)-2-pyridinyl]-5-fluorophenol
PubChem CID90095163
Molecular FormulaC19H13FN4O
Molecular Weight332.34 g/mol
Exact Mass332.11
IUPAC Name3-[3-(4-aminoquinazolin-6-yl)-2-pyridinyl]-5-fluorophenol
SMILESNc1ncnc2ccc(-c3cccnc3-c3cc(O)cc(F)c3)cc12
InChIInChI=1S/C19H13FN4O/c20-13-6-12(7-14(25)9-13)18-15(2-1-5-22-18)11-3-4-17-16(8-11)19(21)24-10-23-17/h1-10,25H,(H2,21,23,24)
InChIKeyWIOOVCCVFLDYHT-UHFFFAOYSA-N
XLogP3.79
TPSA84.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.34
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-aminoquinazolin-6-yl)-2-pyridinyl]-5-fluorophenol?
The IUPAC name of 3-[3-(4-aminoquinazolin-6-yl)-2-pyridinyl]-5-fluorophenol (CID 90095163) is 3-[3-(4-aminoquinazolin-6-yl)-2-pyridinyl]-5-fluorophenol.
What is the SMILES notation for 3-[3-(4-aminoquinazolin-6-yl)-2-pyridinyl]-5-fluorophenol?
The canonical SMILES for 3-[3-(4-aminoquinazolin-6-yl)-2-pyridinyl]-5-fluorophenol is Nc1ncnc2ccc(-c3cccnc3-c3cc(O)cc(F)c3)cc12.
What is the InChIKey of 3-[3-(4-aminoquinazolin-6-yl)-2-pyridinyl]-5-fluorophenol?
The InChIKey is WIOOVCCVFLDYHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13FN4O/c20-13-6-12(7-14(25)9-13)18-15(2-1-5-22-18)11-3-4-17-16(8-11)19(21)24-10-23-17/h1-10,25H,(H2,21,23,24).
What are the key properties of 3-[3-(4-aminoquinazolin-6-yl)-2-pyridinyl]-5-fluorophenol?
3-[3-(4-aminoquinazolin-6-yl)-2-pyridinyl]-5-fluorophenol has a molecular weight of 332.34 g/mol, XLogP of 3.79, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-aminoquinazolin-6-yl)-2-pyridinyl]-5-fluorophenol is sourced from PubChem (CID 90095163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).