(4-aminoquinazolin-2-yl)methyl 3-fluoro-4-methoxybenzoate

C17H14FN3O3 — CID 17416373

IUPAC(4-aminoquinazolin-2-yl)methyl 3-fluoro-4-methoxybenzoate
SMILESCOc1ccc(C(=O)OCc2nc(N)c3ccccc3n2)cc1F
InChIInChI=1S/C17H14FN3O3/c1-23-14-7-6-10(8-12(14)18)17(22)24-9-15-20-13-5-3-2-4-11(13)16(19)21-15/h2-8H,9H2,1H3,(H2,19,20,21)
InChIKeyUAZMDSFNMVXHFC-UHFFFAOYSA-N
MW327.32 g/mol
LogP2.72
Rot. Bonds4

About (4-aminoquinazolin-2-yl)methyl 3-fluoro-4-methoxybenzoate

(4-aminoquinazolin-2-yl)methyl 3-fluoro-4-methoxybenzoate (PubChem CID 17416373) has the molecular formula C17H14FN3O3 and a molecular weight of 327.32 g/mol. Its IUPAC name is (4-aminoquinazolin-2-yl)methyl 3-fluoro-4-methoxybenzoate.

Molecular Properties

Compound Name(4-aminoquinazolin-2-yl)methyl 3-fluoro-4-methoxybenzoate
PubChem CID17416373
Molecular FormulaC17H14FN3O3
Molecular Weight327.32 g/mol
Exact Mass327.10
IUPAC Name(4-aminoquinazolin-2-yl)methyl 3-fluoro-4-methoxybenzoate
SMILESCOc1ccc(C(=O)OCc2nc(N)c3ccccc3n2)cc1F
InChIInChI=1S/C17H14FN3O3/c1-23-14-7-6-10(8-12(14)18)17(22)24-9-15-20-13-5-3-2-4-11(13)16(19)21-15/h2-8H,9H2,1H3,(H2,19,20,21)
InChIKeyUAZMDSFNMVXHFC-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 2,6-dimethoxybenzoate
CID 9451142
(4-aminoquinazolin-2-yl)methyl 2-fluoro-4-methoxybenzoate
CID 17416370
(4-aminoquinazolin-2-yl)methyl 4-methoxy-3-morpholin-4-ylsulfonylbenzoate
CID 55453944
(4-aminoquinazolin-2-yl)methyl 4-chloro-3-(diethylsulfamoyl)benzoate
CID 27911696
[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 3-fluoro-4-methoxybenzoate
CID 8702810
imidazo[1,2-a]pyridin-2-ylmethyl 3-fluoro-4-methoxybenzoate
CID 7523277
(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 2-methyl-2-phenylpropanoate
CID 9451851
2-(1,3-benzoxazol-2-yl)-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 62919555
(2-benzamido-2-oxoethyl) 3-fluoro-4-methoxybenzoate
CID 8702579

Frequently Asked Questions

What is the IUPAC name of (4-aminoquinazolin-2-yl)methyl 3-fluoro-4-methoxybenzoate?
The IUPAC name of (4-aminoquinazolin-2-yl)methyl 3-fluoro-4-methoxybenzoate (CID 17416373) is (4-aminoquinazolin-2-yl)methyl 3-fluoro-4-methoxybenzoate.
What is the SMILES notation for (4-aminoquinazolin-2-yl)methyl 3-fluoro-4-methoxybenzoate?
The canonical SMILES for (4-aminoquinazolin-2-yl)methyl 3-fluoro-4-methoxybenzoate is COc1ccc(C(=O)OCc2nc(N)c3ccccc3n2)cc1F.
What is the InChIKey of (4-aminoquinazolin-2-yl)methyl 3-fluoro-4-methoxybenzoate?
The InChIKey is UAZMDSFNMVXHFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O3/c1-23-14-7-6-10(8-12(14)18)17(22)24-9-15-20-13-5-3-2-4-11(13)16(19)21-15/h2-8H,9H2,1H3,(H2,19,20,21).
What are the key properties of (4-aminoquinazolin-2-yl)methyl 3-fluoro-4-methoxybenzoate?
(4-aminoquinazolin-2-yl)methyl 3-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 3-fluoro-4-methoxybenzoate is sourced from PubChem (CID 17416373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).