methyl 6-(4-oxo-3H-quinazolin-2-yl)pyridine-2-carboxylate

C15H11N3O3 — CID 171934177

IUPACmethyl 6-(4-oxo-3H-quinazolin-2-yl)pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(-c2nc3ccccc3c(=O)[nH]2)n1
InChIInChI=1S/C15H11N3O3/c1-21-15(20)12-8-4-7-11(16-12)13-17-10-6-3-2-5-9(10)14(19)18-13/h2-8H,1H3,(H,17,18,19)
InChIKeyVKUDTTVUHFKIBZ-UHFFFAOYSA-N
MW281.27 g/mol
LogP1.77
Rot. Bonds2

About methyl 6-(4-oxo-3H-quinazolin-2-yl)pyridine-2-carboxylate

methyl 6-(4-oxo-3H-quinazolin-2-yl)pyridine-2-carboxylate (PubChem CID 171934177) has the molecular formula C15H11N3O3 and a molecular weight of 281.27 g/mol. Its IUPAC name is methyl 6-(4-oxo-3H-quinazolin-2-yl)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-(4-oxo-3H-quinazolin-2-yl)pyridine-2-carboxylate
PubChem CID171934177
Molecular FormulaC15H11N3O3
Molecular Weight281.27 g/mol
Exact Mass281.08
IUPAC Namemethyl 6-(4-oxo-3H-quinazolin-2-yl)pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(-c2nc3ccccc3c(=O)[nH]2)n1
InChIInChI=1S/C15H11N3O3/c1-21-15(20)12-8-4-7-11(16-12)13-17-10-6-3-2-5-9(10)14(19)18-13/h2-8H,1H3,(H,17,18,19)
InChIKeyVKUDTTVUHFKIBZ-UHFFFAOYSA-N
XLogP1.77
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 6-(1H-benzimidazol-2-yl)pyridine-2-carboxylate
CID 68519685
methyl 4-(4-oxo-3H-quinazolin-2-yl)benzoate
CID 135476431
methyl 3-[3-(4-oxo-3H-quinazolin-2-yl)phenyl]benzoate
CID 168552709
2-(4-oxo-3H-quinazolin-2-yl)-3H-quinazolin-4-one
CID 135465251
methyl 2-methoxy-5-(4-oxo-3H-quinazolin-2-yl)benzoate
CID 168550749
methyl 1-[[2-(4-oxo-3H-quinazolin-2-yl)phenoxy]methyl]pyrazole-3-carboxylate
CID 168552596
2-(3-methoxyphenyl)-3H-quinazolin-4-one
CID 135486399
N-[3-(4-oxo-3H-quinazolin-2-yl)phenyl]acetamide
CID 137125323
methyl 6-(2-methylphenyl)pyridine-2-carboxylate
CID 117222230
2-[2-hydroxy-6-(methylamino)phenyl]-3H-quinazolin-4-one
CID 168552978
2-naphthalen-1-yl-3H-quinazolin-4-one
CID 135437423
methyl 4-propan-2-ylquinoline-2-carboxylate
CID 138515929

Frequently Asked Questions

What is the IUPAC name of methyl 6-(4-oxo-3H-quinazolin-2-yl)pyridine-2-carboxylate?
The IUPAC name of methyl 6-(4-oxo-3H-quinazolin-2-yl)pyridine-2-carboxylate (CID 171934177) is methyl 6-(4-oxo-3H-quinazolin-2-yl)pyridine-2-carboxylate.
What is the SMILES notation for methyl 6-(4-oxo-3H-quinazolin-2-yl)pyridine-2-carboxylate?
The canonical SMILES for methyl 6-(4-oxo-3H-quinazolin-2-yl)pyridine-2-carboxylate is COC(=O)c1cccc(-c2nc3ccccc3c(=O)[nH]2)n1.
What is the InChIKey of methyl 6-(4-oxo-3H-quinazolin-2-yl)pyridine-2-carboxylate?
The InChIKey is VKUDTTVUHFKIBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O3/c1-21-15(20)12-8-4-7-11(16-12)13-17-10-6-3-2-5-9(10)14(19)18-13/h2-8H,1H3,(H,17,18,19).
What are the key properties of methyl 6-(4-oxo-3H-quinazolin-2-yl)pyridine-2-carboxylate?
methyl 6-(4-oxo-3H-quinazolin-2-yl)pyridine-2-carboxylate has a molecular weight of 281.27 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(4-oxo-3H-quinazolin-2-yl)pyridine-2-carboxylate is sourced from PubChem (CID 171934177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).