methyl 2-[3-(2-aminoquinazolin-6-yl)-4-methyl-2-oxo-1-pyridinyl]acetate

C17H16N4O3 — CID 67000171

IUPACmethyl 2-[3-(2-aminoquinazolin-6-yl)-4-methyl-2-oxo-1-pyridinyl]acetate
SMILESCOC(=O)Cn1ccc(C)c(-c2ccc3nc(N)ncc3c2)c1=O
InChIInChI=1S/C17H16N4O3/c1-10-5-6-21(9-14(22)24-2)16(23)15(10)11-3-4-13-12(7-11)8-19-17(18)20-13/h3-8H,9H2,1-2H3,(H2,18,19,20)
InChIKeyVLGMHASRWBEAAL-UHFFFAOYSA-N
MW324.34 g/mol
LogP1.52
Rot. Bonds3

About methyl 2-[3-(2-aminoquinazolin-6-yl)-4-methyl-2-oxo-1-pyridinyl]acetate

methyl 2-[3-(2-aminoquinazolin-6-yl)-4-methyl-2-oxo-1-pyridinyl]acetate (PubChem CID 67000171) has the molecular formula C17H16N4O3 and a molecular weight of 324.34 g/mol. Its IUPAC name is methyl 2-[3-(2-aminoquinazolin-6-yl)-4-methyl-2-oxo-1-pyridinyl]acetate.

Molecular Properties

Compound Namemethyl 2-[3-(2-aminoquinazolin-6-yl)-4-methyl-2-oxo-1-pyridinyl]acetate
PubChem CID67000171
Molecular FormulaC17H16N4O3
Molecular Weight324.34 g/mol
Exact Mass324.12
IUPAC Namemethyl 2-[3-(2-aminoquinazolin-6-yl)-4-methyl-2-oxo-1-pyridinyl]acetate
SMILESCOC(=O)Cn1ccc(C)c(-c2ccc3nc(N)ncc3c2)c1=O
InChIInChI=1S/C17H16N4O3/c1-10-5-6-21(9-14(22)24-2)16(23)15(10)11-3-4-13-12(7-11)8-19-17(18)20-13/h3-8H,9H2,1-2H3,(H2,18,19,20)
InChIKeyVLGMHASRWBEAAL-UHFFFAOYSA-N
XLogP1.52
TPSA100.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-(2-aminoquinazolin-6-yl)-4-methyl-2-oxo-1-pyridinyl]acetate?
The IUPAC name of methyl 2-[3-(2-aminoquinazolin-6-yl)-4-methyl-2-oxo-1-pyridinyl]acetate (CID 67000171) is methyl 2-[3-(2-aminoquinazolin-6-yl)-4-methyl-2-oxo-1-pyridinyl]acetate.
What is the SMILES notation for methyl 2-[3-(2-aminoquinazolin-6-yl)-4-methyl-2-oxo-1-pyridinyl]acetate?
The canonical SMILES for methyl 2-[3-(2-aminoquinazolin-6-yl)-4-methyl-2-oxo-1-pyridinyl]acetate is COC(=O)Cn1ccc(C)c(-c2ccc3nc(N)ncc3c2)c1=O.
What is the InChIKey of methyl 2-[3-(2-aminoquinazolin-6-yl)-4-methyl-2-oxo-1-pyridinyl]acetate?
The InChIKey is VLGMHASRWBEAAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O3/c1-10-5-6-21(9-14(22)24-2)16(23)15(10)11-3-4-13-12(7-11)8-19-17(18)20-13/h3-8H,9H2,1-2H3,(H2,18,19,20).
What are the key properties of methyl 2-[3-(2-aminoquinazolin-6-yl)-4-methyl-2-oxo-1-pyridinyl]acetate?
methyl 2-[3-(2-aminoquinazolin-6-yl)-4-methyl-2-oxo-1-pyridinyl]acetate has a molecular weight of 324.34 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-(2-aminoquinazolin-6-yl)-4-methyl-2-oxo-1-pyridinyl]acetate is sourced from PubChem (CID 67000171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).