(4-aminoquinazolin-2-yl)methyl 2-methyl-2-phenylpropanoate

C19H19N3O2 — CID 9451851

IUPAC(4-aminoquinazolin-2-yl)methyl 2-methyl-2-phenylpropanoate
SMILESCC(C)(C(=O)OCc1nc(N)c2ccccc2n1)c1ccccc1
InChIInChI=1S/C19H19N3O2/c1-19(2,13-8-4-3-5-9-13)18(23)24-12-16-21-15-11-7-6-10-14(15)17(20)22-16/h3-11H,12H2,1-2H3,(H2,20,21,22)
InChIKeyMJYFORBYWZBQAY-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.23
Rot. Bonds4

About (4-aminoquinazolin-2-yl)methyl 2-methyl-2-phenylpropanoate

(4-aminoquinazolin-2-yl)methyl 2-methyl-2-phenylpropanoate (PubChem CID 9451851) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is (4-aminoquinazolin-2-yl)methyl 2-methyl-2-phenylpropanoate.

Molecular Properties

Compound Name(4-aminoquinazolin-2-yl)methyl 2-methyl-2-phenylpropanoate
PubChem CID9451851
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name(4-aminoquinazolin-2-yl)methyl 2-methyl-2-phenylpropanoate
SMILESCC(C)(C(=O)OCc1nc(N)c2ccccc2n1)c1ccccc1
InChIInChI=1S/C19H19N3O2/c1-19(2,13-8-4-3-5-9-13)18(23)24-12-16-21-15-11-7-6-10-14(15)17(20)22-16/h3-11H,12H2,1-2H3,(H2,20,21,22)
InChIKeyMJYFORBYWZBQAY-UHFFFAOYSA-N
XLogP3.23
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-aminoquinazolin-2-yl)methyl 2-methyl-2-phenylpropanoate?
The IUPAC name of (4-aminoquinazolin-2-yl)methyl 2-methyl-2-phenylpropanoate (CID 9451851) is (4-aminoquinazolin-2-yl)methyl 2-methyl-2-phenylpropanoate.
What is the SMILES notation for (4-aminoquinazolin-2-yl)methyl 2-methyl-2-phenylpropanoate?
The canonical SMILES for (4-aminoquinazolin-2-yl)methyl 2-methyl-2-phenylpropanoate is CC(C)(C(=O)OCc1nc(N)c2ccccc2n1)c1ccccc1.
What is the InChIKey of (4-aminoquinazolin-2-yl)methyl 2-methyl-2-phenylpropanoate?
The InChIKey is MJYFORBYWZBQAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-19(2,13-8-4-3-5-9-13)18(23)24-12-16-21-15-11-7-6-10-14(15)17(20)22-16/h3-11H,12H2,1-2H3,(H2,20,21,22).
What are the key properties of (4-aminoquinazolin-2-yl)methyl 2-methyl-2-phenylpropanoate?
(4-aminoquinazolin-2-yl)methyl 2-methyl-2-phenylpropanoate has a molecular weight of 321.38 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminoquinazolin-2-yl)methyl 2-methyl-2-phenylpropanoate is sourced from PubChem (CID 9451851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).