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

C17H15N3O3 — CID 9451944

IUPAC(4-aminoquinazolin-2-yl)methyl 4-methoxybenzoate
SMILESCOc1ccc(C(=O)OCc2nc(N)c3ccccc3n2)cc1
InChIInChI=1S/C17H15N3O3/c1-22-12-8-6-11(7-9-12)17(21)23-10-15-19-14-5-3-2-4-13(14)16(18)20-15/h2-9H,10H2,1H3,(H2,18,19,20)
InChIKeyXURIMHLJCLFWLQ-UHFFFAOYSA-N
MW309.33 g/mol
LogP2.58
Rot. Bonds4

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

(4-aminoquinazolin-2-yl)methyl 4-methoxybenzoate (PubChem CID 9451944) has the molecular formula C17H15N3O3 and a molecular weight of 309.33 g/mol. Its IUPAC name is (4-aminoquinazolin-2-yl)methyl 4-methoxybenzoate.

Molecular Properties

Compound Name(4-aminoquinazolin-2-yl)methyl 4-methoxybenzoate
PubChem CID9451944
Molecular FormulaC17H15N3O3
Molecular Weight309.33 g/mol
Exact Mass309.11
IUPAC Name(4-aminoquinazolin-2-yl)methyl 4-methoxybenzoate
SMILESCOc1ccc(C(=O)OCc2nc(N)c3ccccc3n2)cc1
InChIInChI=1S/C17H15N3O3/c1-22-12-8-6-11(7-9-12)17(21)23-10-15-19-14-5-3-2-4-13(14)16(18)20-15/h2-9H,10H2,1H3,(H2,18,19,20)
InChIKeyXURIMHLJCLFWLQ-UHFFFAOYSA-N
XLogP2.58
TPSA87.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(4-aminoquinazolin-2-yl)methyl 3-fluoro-4-methoxybenzoate
CID 17416373
(4-aminoquinazolin-2-yl)methyl 2-fluoro-4-methoxybenzoate
CID 17416370
(4-aminoquinazolin-2-yl)methyl 2,6-dimethoxybenzoate
CID 9451142
(4-aminoquinazolin-2-yl)methyl 4-(4-ethoxyphenyl)-4-oxobutanoate
CID 27908531
(4-aminoquinazolin-2-yl)methyl 3-methylbut-2-enoate
CID 27911356
(4-aminoquinazolin-2-yl)methyl 6-(azepan-1-yl)pyridine-3-carboxylate
CID 38727411
(4-aminoquinazolin-2-yl)methyl 4-methoxy-3-morpholin-4-ylsulfonylbenzoate
CID 55453944
(4-aminoquinazolin-2-yl)methyl 2-methyl-2-phenylpropanoate
CID 9451851
ethyl 4-[(4-methylquinazolin-2-yl)methoxy]benzoate
CID 112816009
(4-aminoquinazolin-2-yl)methyl 4-chloro-3-(diethylsulfamoyl)benzoate
CID 27911696
(4-aminoquinazolin-2-yl)methyl 4-bromo-1H-pyrrole-2-carboxylate
CID 17465323
1,3-benzothiazol-2-ylmethyl 4-methoxybenzoate
CID 722271

Frequently Asked Questions

What is the IUPAC name of (4-aminoquinazolin-2-yl)methyl 4-methoxybenzoate?
The IUPAC name of (4-aminoquinazolin-2-yl)methyl 4-methoxybenzoate (CID 9451944) is (4-aminoquinazolin-2-yl)methyl 4-methoxybenzoate.
What is the SMILES notation for (4-aminoquinazolin-2-yl)methyl 4-methoxybenzoate?
The canonical SMILES for (4-aminoquinazolin-2-yl)methyl 4-methoxybenzoate is COc1ccc(C(=O)OCc2nc(N)c3ccccc3n2)cc1.
What is the InChIKey of (4-aminoquinazolin-2-yl)methyl 4-methoxybenzoate?
The InChIKey is XURIMHLJCLFWLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3/c1-22-12-8-6-11(7-9-12)17(21)23-10-15-19-14-5-3-2-4-13(14)16(18)20-15/h2-9H,10H2,1H3,(H2,18,19,20).
What are the key properties of (4-aminoquinazolin-2-yl)methyl 4-methoxybenzoate?
(4-aminoquinazolin-2-yl)methyl 4-methoxybenzoate has a molecular weight of 309.33 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminoquinazolin-2-yl)methyl 4-methoxybenzoate is sourced from PubChem (CID 9451944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).