N-(4-amino-2-tert-butyl-8-fluoro-7-hydroxy-6-methoxyquinazolin-5-yl)-N-methylacetamide

C16H21FN4O3 — CID 138627728

IUPACN-(4-amino-2-tert-butyl-8-fluoro-7-hydroxy-6-methoxyquinazolin-5-yl)-N-methylacetamide
SMILESCOc1c(O)c(F)c2nc(C(C)(C)C)nc(N)c2c1N(C)C(C)=O
InChIInChI=1S/C16H21FN4O3/c1-7(22)21(5)11-8-10(9(17)12(23)13(11)24-6)19-15(16(2,3)4)20-14(8)18/h23H,1-6H3,(H2,18,19,20)
InChIKeyGESZEFOFYIEEHO-UHFFFAOYSA-N
MW336.37 g/mol
LogP2.35
Rot. Bonds2

About N-(4-amino-2-tert-butyl-8-fluoro-7-hydroxy-6-methoxyquinazolin-5-yl)-N-methylacetamide

N-(4-amino-2-tert-butyl-8-fluoro-7-hydroxy-6-methoxyquinazolin-5-yl)-N-methylacetamide (PubChem CID 138627728) has the molecular formula C16H21FN4O3 and a molecular weight of 336.37 g/mol. Its IUPAC name is N-(4-amino-2-tert-butyl-8-fluoro-7-hydroxy-6-methoxyquinazolin-5-yl)-N-methylacetamide.

Molecular Properties

Compound NameN-(4-amino-2-tert-butyl-8-fluoro-7-hydroxy-6-methoxyquinazolin-5-yl)-N-methylacetamide
PubChem CID138627728
Molecular FormulaC16H21FN4O3
Molecular Weight336.37 g/mol
Exact Mass336.16
IUPAC NameN-(4-amino-2-tert-butyl-8-fluoro-7-hydroxy-6-methoxyquinazolin-5-yl)-N-methylacetamide
SMILESCOc1c(O)c(F)c2nc(C(C)(C)C)nc(N)c2c1N(C)C(C)=O
InChIInChI=1S/C16H21FN4O3/c1-7(22)21(5)11-8-10(9(17)12(23)13(11)24-6)19-15(16(2,3)4)20-14(8)18/h23H,1-6H3,(H2,18,19,20)
InChIKeyGESZEFOFYIEEHO-UHFFFAOYSA-N
XLogP2.35
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-tert-butyl-8-fluoro-7-hydroxy-6-methoxyquinazolin-5-yl)-N-methylacetamide?
The IUPAC name of N-(4-amino-2-tert-butyl-8-fluoro-7-hydroxy-6-methoxyquinazolin-5-yl)-N-methylacetamide (CID 138627728) is N-(4-amino-2-tert-butyl-8-fluoro-7-hydroxy-6-methoxyquinazolin-5-yl)-N-methylacetamide.
What is the SMILES notation for N-(4-amino-2-tert-butyl-8-fluoro-7-hydroxy-6-methoxyquinazolin-5-yl)-N-methylacetamide?
The canonical SMILES for N-(4-amino-2-tert-butyl-8-fluoro-7-hydroxy-6-methoxyquinazolin-5-yl)-N-methylacetamide is COc1c(O)c(F)c2nc(C(C)(C)C)nc(N)c2c1N(C)C(C)=O.
What is the InChIKey of N-(4-amino-2-tert-butyl-8-fluoro-7-hydroxy-6-methoxyquinazolin-5-yl)-N-methylacetamide?
The InChIKey is GESZEFOFYIEEHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN4O3/c1-7(22)21(5)11-8-10(9(17)12(23)13(11)24-6)19-15(16(2,3)4)20-14(8)18/h23H,1-6H3,(H2,18,19,20).
What are the key properties of N-(4-amino-2-tert-butyl-8-fluoro-7-hydroxy-6-methoxyquinazolin-5-yl)-N-methylacetamide?
N-(4-amino-2-tert-butyl-8-fluoro-7-hydroxy-6-methoxyquinazolin-5-yl)-N-methylacetamide has a molecular weight of 336.37 g/mol, XLogP of 2.35, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-tert-butyl-8-fluoro-7-hydroxy-6-methoxyquinazolin-5-yl)-N-methylacetamide is sourced from PubChem (CID 138627728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).