methyl 2-(2-oxo-3-propyl-1,4-dihydroquinazolin-4-yl)acetate

C14H18N2O3 — CID 10989080

IUPACmethyl 2-(2-oxo-3-propyl-1,4-dihydroquinazolin-4-yl)acetate
SMILESCCCN1C(=O)Nc2ccccc2C1CC(=O)OC
InChIInChI=1S/C14H18N2O3/c1-3-8-16-12(9-13(17)19-2)10-6-4-5-7-11(10)15-14(16)18/h4-7,12H,3,8-9H2,1-2H3,(H,15,18)
InChIKeyUFJYAUJIVPQCAG-UHFFFAOYSA-N
MW262.31 g/mol
LogP2.55
Rot. Bonds4

About methyl 2-(2-oxo-3-propyl-1,4-dihydroquinazolin-4-yl)acetate

methyl 2-(2-oxo-3-propyl-1,4-dihydroquinazolin-4-yl)acetate (PubChem CID 10989080) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is methyl 2-(2-oxo-3-propyl-1,4-dihydroquinazolin-4-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(2-oxo-3-propyl-1,4-dihydroquinazolin-4-yl)acetate
PubChem CID10989080
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Namemethyl 2-(2-oxo-3-propyl-1,4-dihydroquinazolin-4-yl)acetate
SMILESCCCN1C(=O)Nc2ccccc2C1CC(=O)OC
InChIInChI=1S/C14H18N2O3/c1-3-8-16-12(9-13(17)19-2)10-6-4-5-7-11(10)15-14(16)18/h4-7,12H,3,8-9H2,1-2H3,(H,15,18)
InChIKeyUFJYAUJIVPQCAG-UHFFFAOYSA-N
XLogP2.55
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-oxo-3-propyl-1,4-dihydroquinazolin-4-yl)acetate?
The IUPAC name of methyl 2-(2-oxo-3-propyl-1,4-dihydroquinazolin-4-yl)acetate (CID 10989080) is methyl 2-(2-oxo-3-propyl-1,4-dihydroquinazolin-4-yl)acetate.
What is the SMILES notation for methyl 2-(2-oxo-3-propyl-1,4-dihydroquinazolin-4-yl)acetate?
The canonical SMILES for methyl 2-(2-oxo-3-propyl-1,4-dihydroquinazolin-4-yl)acetate is CCCN1C(=O)Nc2ccccc2C1CC(=O)OC.
What is the InChIKey of methyl 2-(2-oxo-3-propyl-1,4-dihydroquinazolin-4-yl)acetate?
The InChIKey is UFJYAUJIVPQCAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-3-8-16-12(9-13(17)19-2)10-6-4-5-7-11(10)15-14(16)18/h4-7,12H,3,8-9H2,1-2H3,(H,15,18).
What are the key properties of methyl 2-(2-oxo-3-propyl-1,4-dihydroquinazolin-4-yl)acetate?
methyl 2-(2-oxo-3-propyl-1,4-dihydroquinazolin-4-yl)acetate has a molecular weight of 262.31 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-oxo-3-propyl-1,4-dihydroquinazolin-4-yl)acetate is sourced from PubChem (CID 10989080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).