2-methylpropyl 2-(4-oxo-2-pyridin-3-ylquinazolin-3-yl)acetate

C19H19N3O3 — CID 23827567

IUPAC2-methylpropyl 2-(4-oxo-2-pyridin-3-ylquinazolin-3-yl)acetate
SMILESCC(C)COC(=O)Cn1c(-c2cccnc2)nc2ccccc2c1=O
InChIInChI=1S/C19H19N3O3/c1-13(2)12-25-17(23)11-22-18(14-6-5-9-20-10-14)21-16-8-4-3-7-15(16)19(22)24/h3-10,13H,11-12H2,1-2H3
InChIKeyVGWHDYRDBILWSQ-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.66
Rot. Bonds5

About 2-methylpropyl 2-(4-oxo-2-pyridin-3-ylquinazolin-3-yl)acetate

2-methylpropyl 2-(4-oxo-2-pyridin-3-ylquinazolin-3-yl)acetate (PubChem CID 23827567) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is 2-methylpropyl 2-(4-oxo-2-pyridin-3-ylquinazolin-3-yl)acetate.

Molecular Properties

Compound Name2-methylpropyl 2-(4-oxo-2-pyridin-3-ylquinazolin-3-yl)acetate
PubChem CID23827567
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Name2-methylpropyl 2-(4-oxo-2-pyridin-3-ylquinazolin-3-yl)acetate
SMILESCC(C)COC(=O)Cn1c(-c2cccnc2)nc2ccccc2c1=O
InChIInChI=1S/C19H19N3O3/c1-13(2)12-25-17(23)11-22-18(14-6-5-9-20-10-14)21-16-8-4-3-7-15(16)19(22)24/h3-10,13H,11-12H2,1-2H3
InChIKeyVGWHDYRDBILWSQ-UHFFFAOYSA-N
XLogP2.66
TPSA74.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 2-(4-oxo-2-pyridin-3-ylquinazolin-3-yl)acetate?
The IUPAC name of 2-methylpropyl 2-(4-oxo-2-pyridin-3-ylquinazolin-3-yl)acetate (CID 23827567) is 2-methylpropyl 2-(4-oxo-2-pyridin-3-ylquinazolin-3-yl)acetate.
What is the SMILES notation for 2-methylpropyl 2-(4-oxo-2-pyridin-3-ylquinazolin-3-yl)acetate?
The canonical SMILES for 2-methylpropyl 2-(4-oxo-2-pyridin-3-ylquinazolin-3-yl)acetate is CC(C)COC(=O)Cn1c(-c2cccnc2)nc2ccccc2c1=O.
What is the InChIKey of 2-methylpropyl 2-(4-oxo-2-pyridin-3-ylquinazolin-3-yl)acetate?
The InChIKey is VGWHDYRDBILWSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-13(2)12-25-17(23)11-22-18(14-6-5-9-20-10-14)21-16-8-4-3-7-15(16)19(22)24/h3-10,13H,11-12H2,1-2H3.
What are the key properties of 2-methylpropyl 2-(4-oxo-2-pyridin-3-ylquinazolin-3-yl)acetate?
2-methylpropyl 2-(4-oxo-2-pyridin-3-ylquinazolin-3-yl)acetate has a molecular weight of 337.38 g/mol, XLogP of 2.66, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 2-(4-oxo-2-pyridin-3-ylquinazolin-3-yl)acetate is sourced from PubChem (CID 23827567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).