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

C19H13FN4O — CID 118437908

IUPAC3-[3-(4-aminoquinazolin-6-yl)-5-fluoro-2-pyridinyl]phenol
SMILESNc1ncnc2ccc(-c3cc(F)cnc3-c3cccc(O)c3)cc12
InChIInChI=1S/C19H13FN4O/c20-13-8-15(18(22-9-13)12-2-1-3-14(25)6-12)11-4-5-17-16(7-11)19(21)24-10-23-17/h1-10,25H,(H2,21,23,24)
InChIKeyRTCOAJGJNPXIBA-UHFFFAOYSA-N
MW332.34 g/mol
LogP3.79
Rot. Bonds2

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

3-[3-(4-aminoquinazolin-6-yl)-5-fluoro-2-pyridinyl]phenol (PubChem CID 118437908) has the molecular formula C19H13FN4O and a molecular weight of 332.34 g/mol. Its IUPAC name is 3-[3-(4-aminoquinazolin-6-yl)-5-fluoro-2-pyridinyl]phenol.

Molecular Properties

Compound Name3-[3-(4-aminoquinazolin-6-yl)-5-fluoro-2-pyridinyl]phenol
PubChem CID118437908
Molecular FormulaC19H13FN4O
Molecular Weight332.34 g/mol
Exact Mass332.11
IUPAC Name3-[3-(4-aminoquinazolin-6-yl)-5-fluoro-2-pyridinyl]phenol
SMILESNc1ncnc2ccc(-c3cc(F)cnc3-c3cccc(O)c3)cc12
InChIInChI=1S/C19H13FN4O/c20-13-8-15(18(22-9-13)12-2-1-3-14(25)6-12)11-4-5-17-16(7-11)19(21)24-10-23-17/h1-10,25H,(H2,21,23,24)
InChIKeyRTCOAJGJNPXIBA-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)-5-fluoro-2-pyridinyl]phenol?
The IUPAC name of 3-[3-(4-aminoquinazolin-6-yl)-5-fluoro-2-pyridinyl]phenol (CID 118437908) is 3-[3-(4-aminoquinazolin-6-yl)-5-fluoro-2-pyridinyl]phenol.
What is the SMILES notation for 3-[3-(4-aminoquinazolin-6-yl)-5-fluoro-2-pyridinyl]phenol?
The canonical SMILES for 3-[3-(4-aminoquinazolin-6-yl)-5-fluoro-2-pyridinyl]phenol is Nc1ncnc2ccc(-c3cc(F)cnc3-c3cccc(O)c3)cc12.
What is the InChIKey of 3-[3-(4-aminoquinazolin-6-yl)-5-fluoro-2-pyridinyl]phenol?
The InChIKey is RTCOAJGJNPXIBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13FN4O/c20-13-8-15(18(22-9-13)12-2-1-3-14(25)6-12)11-4-5-17-16(7-11)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)-5-fluoro-2-pyridinyl]phenol?
3-[3-(4-aminoquinazolin-6-yl)-5-fluoro-2-pyridinyl]phenol 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)-5-fluoro-2-pyridinyl]phenol is sourced from PubChem (CID 118437908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).