2-amino-8-fluoro-N-[[6-(1,3-oxazol-5-yl)-2-pyridinyl]methyl]quinazoline-4-carboxamide

C18H13FN6O2 — CID 122444969

IUPAC2-amino-8-fluoro-N-[[6-(1,3-oxazol-5-yl)-2-pyridinyl]methyl]quinazoline-4-carboxamide
SMILESNc1nc(C(=O)NCc2cccc(-c3cnco3)n2)c2cccc(F)c2n1
InChIInChI=1S/C18H13FN6O2/c19-12-5-2-4-11-15(12)24-18(20)25-16(11)17(26)22-7-10-3-1-6-13(23-10)14-8-21-9-27-14/h1-6,8-9H,7H2,(H,22,26)(H2,20,24,25)
InChIKeyOTFLNKYYLJHENJ-UHFFFAOYSA-N
MW364.34 g/mol
LogP2.33
Rot. Bonds4

About 2-amino-8-fluoro-N-[[6-(1,3-oxazol-5-yl)-2-pyridinyl]methyl]quinazoline-4-carboxamide

2-amino-8-fluoro-N-[[6-(1,3-oxazol-5-yl)-2-pyridinyl]methyl]quinazoline-4-carboxamide (PubChem CID 122444969) has the molecular formula C18H13FN6O2 and a molecular weight of 364.34 g/mol. Its IUPAC name is 2-amino-8-fluoro-N-[[6-(1,3-oxazol-5-yl)-2-pyridinyl]methyl]quinazoline-4-carboxamide.

Molecular Properties

Compound Name2-amino-8-fluoro-N-[[6-(1,3-oxazol-5-yl)-2-pyridinyl]methyl]quinazoline-4-carboxamide
PubChem CID122444969
Molecular FormulaC18H13FN6O2
Molecular Weight364.34 g/mol
Exact Mass364.11
IUPAC Name2-amino-8-fluoro-N-[[6-(1,3-oxazol-5-yl)-2-pyridinyl]methyl]quinazoline-4-carboxamide
SMILESNc1nc(C(=O)NCc2cccc(-c3cnco3)n2)c2cccc(F)c2n1
InChIInChI=1S/C18H13FN6O2/c19-12-5-2-4-11-15(12)24-18(20)25-16(11)17(26)22-7-10-3-1-6-13(23-10)14-8-21-9-27-14/h1-6,8-9H,7H2,(H,22,26)(H2,20,24,25)
InChIKeyOTFLNKYYLJHENJ-UHFFFAOYSA-N
XLogP2.33
TPSA119.82 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.34
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-amino-8-fluoro-N-[[6-(1,3-oxazol-5-yl)-2-pyridinyl]methyl]quinazoline-4-carboxamide?
The IUPAC name of 2-amino-8-fluoro-N-[[6-(1,3-oxazol-5-yl)-2-pyridinyl]methyl]quinazoline-4-carboxamide (CID 122444969) is 2-amino-8-fluoro-N-[[6-(1,3-oxazol-5-yl)-2-pyridinyl]methyl]quinazoline-4-carboxamide.
What is the SMILES notation for 2-amino-8-fluoro-N-[[6-(1,3-oxazol-5-yl)-2-pyridinyl]methyl]quinazoline-4-carboxamide?
The canonical SMILES for 2-amino-8-fluoro-N-[[6-(1,3-oxazol-5-yl)-2-pyridinyl]methyl]quinazoline-4-carboxamide is Nc1nc(C(=O)NCc2cccc(-c3cnco3)n2)c2cccc(F)c2n1.
What is the InChIKey of 2-amino-8-fluoro-N-[[6-(1,3-oxazol-5-yl)-2-pyridinyl]methyl]quinazoline-4-carboxamide?
The InChIKey is OTFLNKYYLJHENJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN6O2/c19-12-5-2-4-11-15(12)24-18(20)25-16(11)17(26)22-7-10-3-1-6-13(23-10)14-8-21-9-27-14/h1-6,8-9H,7H2,(H,22,26)(H2,20,24,25).
What are the key properties of 2-amino-8-fluoro-N-[[6-(1,3-oxazol-5-yl)-2-pyridinyl]methyl]quinazoline-4-carboxamide?
2-amino-8-fluoro-N-[[6-(1,3-oxazol-5-yl)-2-pyridinyl]methyl]quinazoline-4-carboxamide has a molecular weight of 364.34 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-8-fluoro-N-[[6-(1,3-oxazol-5-yl)-2-pyridinyl]methyl]quinazoline-4-carboxamide is sourced from PubChem (CID 122444969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).