(4-aminoquinazolin-2-yl)methyl 3-methylbut-2-enoate

C14H15N3O2 — CID 27911356

IUPAC(4-aminoquinazolin-2-yl)methyl 3-methylbut-2-enoate
SMILESCC(C)=CC(=O)OCc1nc(N)c2ccccc2n1
InChIInChI=1S/C14H15N3O2/c1-9(2)7-13(18)19-8-12-16-11-6-4-3-5-10(11)14(15)17-12/h3-7H,8H2,1-2H3,(H2,15,16,17)
InChIKeyOJDWZFVHBNWUNA-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.22
Rot. Bonds3

About (4-aminoquinazolin-2-yl)methyl 3-methylbut-2-enoate

(4-aminoquinazolin-2-yl)methyl 3-methylbut-2-enoate (PubChem CID 27911356) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is (4-aminoquinazolin-2-yl)methyl 3-methylbut-2-enoate.

Molecular Properties

Compound Name(4-aminoquinazolin-2-yl)methyl 3-methylbut-2-enoate
PubChem CID27911356
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name(4-aminoquinazolin-2-yl)methyl 3-methylbut-2-enoate
SMILESCC(C)=CC(=O)OCc1nc(N)c2ccccc2n1
InChIInChI=1S/C14H15N3O2/c1-9(2)7-13(18)19-8-12-16-11-6-4-3-5-10(11)14(15)17-12/h3-7H,8H2,1-2H3,(H2,15,16,17)
InChIKeyOJDWZFVHBNWUNA-UHFFFAOYSA-N
XLogP2.22
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-aminoquinazolin-2-yl)methyl 3-methylbut-2-enoate?
The IUPAC name of (4-aminoquinazolin-2-yl)methyl 3-methylbut-2-enoate (CID 27911356) is (4-aminoquinazolin-2-yl)methyl 3-methylbut-2-enoate.
What is the SMILES notation for (4-aminoquinazolin-2-yl)methyl 3-methylbut-2-enoate?
The canonical SMILES for (4-aminoquinazolin-2-yl)methyl 3-methylbut-2-enoate is CC(C)=CC(=O)OCc1nc(N)c2ccccc2n1.
What is the InChIKey of (4-aminoquinazolin-2-yl)methyl 3-methylbut-2-enoate?
The InChIKey is OJDWZFVHBNWUNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-9(2)7-13(18)19-8-12-16-11-6-4-3-5-10(11)14(15)17-12/h3-7H,8H2,1-2H3,(H2,15,16,17).
What are the key properties of (4-aminoquinazolin-2-yl)methyl 3-methylbut-2-enoate?
(4-aminoquinazolin-2-yl)methyl 3-methylbut-2-enoate has a molecular weight of 257.29 g/mol, XLogP of 2.22, 3 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 3-methylbut-2-enoate is sourced from PubChem (CID 27911356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).