(4-aminoquinazolin-2-yl)methyl 2,6-dimethoxybenzoate

C18H17N3O4 — CID 9451142

IUPAC(4-aminoquinazolin-2-yl)methyl 2,6-dimethoxybenzoate
SMILESCOc1cccc(OC)c1C(=O)OCc1nc(N)c2ccccc2n1
InChIInChI=1S/C18H17N3O4/c1-23-13-8-5-9-14(24-2)16(13)18(22)25-10-15-20-12-7-4-3-6-11(12)17(19)21-15/h3-9H,10H2,1-2H3,(H2,19,20,21)
InChIKeyNZUVDJXAZQETIF-UHFFFAOYSA-N
MW339.35 g/mol
LogP2.59
Rot. Bonds5

About (4-aminoquinazolin-2-yl)methyl 2,6-dimethoxybenzoate

(4-aminoquinazolin-2-yl)methyl 2,6-dimethoxybenzoate (PubChem CID 9451142) has the molecular formula C18H17N3O4 and a molecular weight of 339.35 g/mol. Its IUPAC name is (4-aminoquinazolin-2-yl)methyl 2,6-dimethoxybenzoate.

Molecular Properties

Compound Name(4-aminoquinazolin-2-yl)methyl 2,6-dimethoxybenzoate
PubChem CID9451142
Molecular FormulaC18H17N3O4
Molecular Weight339.35 g/mol
Exact Mass339.12
IUPAC Name(4-aminoquinazolin-2-yl)methyl 2,6-dimethoxybenzoate
SMILESCOc1cccc(OC)c1C(=O)OCc1nc(N)c2ccccc2n1
InChIInChI=1S/C18H17N3O4/c1-23-13-8-5-9-14(24-2)16(13)18(22)25-10-15-20-12-7-4-3-6-11(12)17(19)21-15/h3-9H,10H2,1-2H3,(H2,19,20,21)
InChIKeyNZUVDJXAZQETIF-UHFFFAOYSA-N
XLogP2.59
TPSA96.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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
(4-aminoquinazolin-2-yl)methyl 2-fluoro-4-methoxybenzoate
CID 17416370
(4-aminoquinazolin-2-yl)methyl 3-methylbut-2-enoate
CID 27911356
(4-aminoquinazolin-2-yl)methyl 2-methyl-2-phenylpropanoate
CID 9451851
2-[(2-aminophenoxy)methyl]quinazolin-4-amine
CID 61026770
(4-aminoquinazolin-2-yl)methyl 4-bromo-1H-pyrrole-2-carboxylate
CID 17465323
(4-aminoquinazolin-2-yl)methyl 4-methoxy-3-morpholin-4-ylsulfonylbenzoate
CID 55453944
(4-aminoquinazolin-2-yl)methyl 3-phenoxypropanoate
CID 27914976
(4-aminoquinazolin-2-yl)methyl 5-methyl-1-pyridin-2-ylpyrazole-4-carboxylate
CID 55641210
[4-amino-6-(4-methylanilino)-1,3,5-triazin-2-yl]methyl 2,6-dimethoxybenzoate
CID 8025677
(4-aminoquinazolin-2-yl)methyl 6-(azepan-1-yl)pyridine-3-carboxylate
CID 38727411

Frequently Asked Questions

What is the IUPAC name of (4-aminoquinazolin-2-yl)methyl 2,6-dimethoxybenzoate?
The IUPAC name of (4-aminoquinazolin-2-yl)methyl 2,6-dimethoxybenzoate (CID 9451142) is (4-aminoquinazolin-2-yl)methyl 2,6-dimethoxybenzoate.
What is the SMILES notation for (4-aminoquinazolin-2-yl)methyl 2,6-dimethoxybenzoate?
The canonical SMILES for (4-aminoquinazolin-2-yl)methyl 2,6-dimethoxybenzoate is COc1cccc(OC)c1C(=O)OCc1nc(N)c2ccccc2n1.
What is the InChIKey of (4-aminoquinazolin-2-yl)methyl 2,6-dimethoxybenzoate?
The InChIKey is NZUVDJXAZQETIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4/c1-23-13-8-5-9-14(24-2)16(13)18(22)25-10-15-20-12-7-4-3-6-11(12)17(19)21-15/h3-9H,10H2,1-2H3,(H2,19,20,21).
What are the key properties of (4-aminoquinazolin-2-yl)methyl 2,6-dimethoxybenzoate?
(4-aminoquinazolin-2-yl)methyl 2,6-dimethoxybenzoate has a molecular weight of 339.35 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminoquinazolin-2-yl)methyl 2,6-dimethoxybenzoate is sourced from PubChem (CID 9451142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).