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

C17H14FN3O3 — CID 17416370

IUPAC(4-aminoquinazolin-2-yl)methyl 2-fluoro-4-methoxybenzoate
SMILESCOc1ccc(C(=O)OCc2nc(N)c3ccccc3n2)c(F)c1
InChIInChI=1S/C17H14FN3O3/c1-23-10-6-7-11(13(18)8-10)17(22)24-9-15-20-14-5-3-2-4-12(14)16(19)21-15/h2-8H,9H2,1H3,(H2,19,20,21)
InChIKeyUSPTWQRENFGNRV-UHFFFAOYSA-N
MW327.32 g/mol
LogP2.72
Rot. Bonds4

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

(4-aminoquinazolin-2-yl)methyl 2-fluoro-4-methoxybenzoate (PubChem CID 17416370) has the molecular formula C17H14FN3O3 and a molecular weight of 327.32 g/mol. Its IUPAC name is (4-aminoquinazolin-2-yl)methyl 2-fluoro-4-methoxybenzoate.

Molecular Properties

Compound Name(4-aminoquinazolin-2-yl)methyl 2-fluoro-4-methoxybenzoate
PubChem CID17416370
Molecular FormulaC17H14FN3O3
Molecular Weight327.32 g/mol
Exact Mass327.10
IUPAC Name(4-aminoquinazolin-2-yl)methyl 2-fluoro-4-methoxybenzoate
SMILESCOc1ccc(C(=O)OCc2nc(N)c3ccccc3n2)c(F)c1
InChIInChI=1S/C17H14FN3O3/c1-23-10-6-7-11(13(18)8-10)17(22)24-9-15-20-14-5-3-2-4-12(14)16(19)21-15/h2-8H,9H2,1H3,(H2,19,20,21)
InChIKeyUSPTWQRENFGNRV-UHFFFAOYSA-N
XLogP2.72
TPSA87.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.32
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(4-aminoquinazolin-2-yl)methyl 4-methoxybenzoate
CID 9451944
(4-aminoquinazolin-2-yl)methyl 3-fluoro-4-methoxybenzoate
CID 17416373
benzyl 2-fluoro-4-methoxybenzoate
CID 103602947
(4-aminoquinazolin-2-yl)methyl 2,6-dimethoxybenzoate
CID 9451142
(4-phenylphenyl)methyl 2-fluoro-4-methoxybenzoate
CID 7490992
(5-phenyl-1,3-oxazol-2-yl)methyl 2-fluoro-4-methoxybenzoate
CID 8509326
(4-aminoquinazolin-2-yl)methyl 2-fluoro-5-morpholin-4-ylsulfonylbenzoate
CID 55453452
(4-aminoquinazolin-2-yl)methyl 3-methylbut-2-enoate
CID 27911356
(4-aminoquinazolin-2-yl)methyl 4-bromo-1H-pyrrole-2-carboxylate
CID 17465323
(4-aminoquinazolin-2-yl)methyl 2-methyl-2-phenylpropanoate
CID 9451851
[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-fluoro-4-methoxybenzoate
CID 8509452
(4-aminoquinazolin-2-yl)methyl 5-methyl-1-pyridin-2-ylpyrazole-4-carboxylate
CID 55641210

Frequently Asked Questions

What is the IUPAC name of (4-aminoquinazolin-2-yl)methyl 2-fluoro-4-methoxybenzoate?
The IUPAC name of (4-aminoquinazolin-2-yl)methyl 2-fluoro-4-methoxybenzoate (CID 17416370) is (4-aminoquinazolin-2-yl)methyl 2-fluoro-4-methoxybenzoate.
What is the SMILES notation for (4-aminoquinazolin-2-yl)methyl 2-fluoro-4-methoxybenzoate?
The canonical SMILES for (4-aminoquinazolin-2-yl)methyl 2-fluoro-4-methoxybenzoate is COc1ccc(C(=O)OCc2nc(N)c3ccccc3n2)c(F)c1.
What is the InChIKey of (4-aminoquinazolin-2-yl)methyl 2-fluoro-4-methoxybenzoate?
The InChIKey is USPTWQRENFGNRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O3/c1-23-10-6-7-11(13(18)8-10)17(22)24-9-15-20-14-5-3-2-4-12(14)16(19)21-15/h2-8H,9H2,1H3,(H2,19,20,21).
What are the key properties of (4-aminoquinazolin-2-yl)methyl 2-fluoro-4-methoxybenzoate?
(4-aminoquinazolin-2-yl)methyl 2-fluoro-4-methoxybenzoate has a molecular weight of 327.32 g/mol, XLogP of 2.72, 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 2-fluoro-4-methoxybenzoate is sourced from PubChem (CID 17416370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).