methyl 3-hydroxy-2-(4-oxo-2-pyridin-3-ylquinazolin-3-yl)benzoate

C21H15N3O4 — CID 139584180

IUPACmethyl 3-hydroxy-2-(4-oxo-2-pyridin-3-ylquinazolin-3-yl)benzoate
SMILESCOC(=O)c1cccc(O)c1-n1c(-c2cccnc2)nc2ccccc2c1=O
InChIInChI=1S/C21H15N3O4/c1-28-21(27)15-8-4-10-17(25)18(15)24-19(13-6-5-11-22-12-13)23-16-9-3-2-7-14(16)20(24)26/h2-12,25H,1H3
InChIKeyHFCODQQUOYPYRJ-UHFFFAOYSA-N
MW373.37 g/mol
LogP2.94
Rot. Bonds3

About methyl 3-hydroxy-2-(4-oxo-2-pyridin-3-ylquinazolin-3-yl)benzoate

methyl 3-hydroxy-2-(4-oxo-2-pyridin-3-ylquinazolin-3-yl)benzoate (PubChem CID 139584180) has the molecular formula C21H15N3O4 and a molecular weight of 373.37 g/mol. Its IUPAC name is methyl 3-hydroxy-2-(4-oxo-2-pyridin-3-ylquinazolin-3-yl)benzoate.

Molecular Properties

Compound Namemethyl 3-hydroxy-2-(4-oxo-2-pyridin-3-ylquinazolin-3-yl)benzoate
PubChem CID139584180
Molecular FormulaC21H15N3O4
Molecular Weight373.37 g/mol
Exact Mass373.11
IUPAC Namemethyl 3-hydroxy-2-(4-oxo-2-pyridin-3-ylquinazolin-3-yl)benzoate
SMILESCOC(=O)c1cccc(O)c1-n1c(-c2cccnc2)nc2ccccc2c1=O
InChIInChI=1S/C21H15N3O4/c1-28-21(27)15-8-4-10-17(25)18(15)24-19(13-6-5-11-22-12-13)23-16-9-3-2-7-14(16)20(24)26/h2-12,25H,1H3
InChIKeyHFCODQQUOYPYRJ-UHFFFAOYSA-N
XLogP2.94
TPSA94.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.37
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 3-hydroxy-2-(4-oxo-2-pyridin-3-ylquinazolin-3-yl)benzoate?
The IUPAC name of methyl 3-hydroxy-2-(4-oxo-2-pyridin-3-ylquinazolin-3-yl)benzoate (CID 139584180) is methyl 3-hydroxy-2-(4-oxo-2-pyridin-3-ylquinazolin-3-yl)benzoate.
What is the SMILES notation for methyl 3-hydroxy-2-(4-oxo-2-pyridin-3-ylquinazolin-3-yl)benzoate?
The canonical SMILES for methyl 3-hydroxy-2-(4-oxo-2-pyridin-3-ylquinazolin-3-yl)benzoate is COC(=O)c1cccc(O)c1-n1c(-c2cccnc2)nc2ccccc2c1=O.
What is the InChIKey of methyl 3-hydroxy-2-(4-oxo-2-pyridin-3-ylquinazolin-3-yl)benzoate?
The InChIKey is HFCODQQUOYPYRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N3O4/c1-28-21(27)15-8-4-10-17(25)18(15)24-19(13-6-5-11-22-12-13)23-16-9-3-2-7-14(16)20(24)26/h2-12,25H,1H3.
What are the key properties of methyl 3-hydroxy-2-(4-oxo-2-pyridin-3-ylquinazolin-3-yl)benzoate?
methyl 3-hydroxy-2-(4-oxo-2-pyridin-3-ylquinazolin-3-yl)benzoate has a molecular weight of 373.37 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-hydroxy-2-(4-oxo-2-pyridin-3-ylquinazolin-3-yl)benzoate is sourced from PubChem (CID 139584180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).