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

C23H20N4O3 — CID 24879244

IUPACethyl 4-[3-(2-aminoquinazolin-6-yl)-4-methyl-2-oxo-1-pyridinyl]benzoate
SMILESCCOC(=O)c1ccc(-n2ccc(C)c(-c3ccc4nc(N)ncc4c3)c2=O)cc1
InChIInChI=1S/C23H20N4O3/c1-3-30-22(29)15-4-7-18(8-5-15)27-11-10-14(2)20(21(27)28)16-6-9-19-17(12-16)13-25-23(24)26-19/h4-13H,3H2,1-2H3,(H2,24,25,26)
InChIKeyJZTVWMNQNFKFGJ-UHFFFAOYSA-N
MW400.44 g/mol
LogP3.52
Rot. Bonds4

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

ethyl 4-[3-(2-aminoquinazolin-6-yl)-4-methyl-2-oxo-1-pyridinyl]benzoate (PubChem CID 24879244) has the molecular formula C23H20N4O3 and a molecular weight of 400.44 g/mol. Its IUPAC name is ethyl 4-[3-(2-aminoquinazolin-6-yl)-4-methyl-2-oxo-1-pyridinyl]benzoate.

Molecular Properties

Compound Nameethyl 4-[3-(2-aminoquinazolin-6-yl)-4-methyl-2-oxo-1-pyridinyl]benzoate
PubChem CID24879244
Molecular FormulaC23H20N4O3
Molecular Weight400.44 g/mol
Exact Mass400.15
IUPAC Nameethyl 4-[3-(2-aminoquinazolin-6-yl)-4-methyl-2-oxo-1-pyridinyl]benzoate
SMILESCCOC(=O)c1ccc(-n2ccc(C)c(-c3ccc4nc(N)ncc4c3)c2=O)cc1
InChIInChI=1S/C23H20N4O3/c1-3-30-22(29)15-4-7-18(8-5-15)27-11-10-14(2)20(21(27)28)16-6-9-19-17(12-16)13-25-23(24)26-19/h4-13H,3H2,1-2H3,(H2,24,25,26)
InChIKeyJZTVWMNQNFKFGJ-UHFFFAOYSA-N
XLogP3.52
TPSA100.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[3-(2-aminoquinazolin-6-yl)-4-methyl-2-oxo-1-pyridinyl]benzoate?
The IUPAC name of ethyl 4-[3-(2-aminoquinazolin-6-yl)-4-methyl-2-oxo-1-pyridinyl]benzoate (CID 24879244) is ethyl 4-[3-(2-aminoquinazolin-6-yl)-4-methyl-2-oxo-1-pyridinyl]benzoate.
What is the SMILES notation for ethyl 4-[3-(2-aminoquinazolin-6-yl)-4-methyl-2-oxo-1-pyridinyl]benzoate?
The canonical SMILES for ethyl 4-[3-(2-aminoquinazolin-6-yl)-4-methyl-2-oxo-1-pyridinyl]benzoate is CCOC(=O)c1ccc(-n2ccc(C)c(-c3ccc4nc(N)ncc4c3)c2=O)cc1.
What is the InChIKey of ethyl 4-[3-(2-aminoquinazolin-6-yl)-4-methyl-2-oxo-1-pyridinyl]benzoate?
The InChIKey is JZTVWMNQNFKFGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O3/c1-3-30-22(29)15-4-7-18(8-5-15)27-11-10-14(2)20(21(27)28)16-6-9-19-17(12-16)13-25-23(24)26-19/h4-13H,3H2,1-2H3,(H2,24,25,26).
What are the key properties of ethyl 4-[3-(2-aminoquinazolin-6-yl)-4-methyl-2-oxo-1-pyridinyl]benzoate?
ethyl 4-[3-(2-aminoquinazolin-6-yl)-4-methyl-2-oxo-1-pyridinyl]benzoate has a molecular weight of 400.44 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[3-(2-aminoquinazolin-6-yl)-4-methyl-2-oxo-1-pyridinyl]benzoate is sourced from PubChem (CID 24879244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).