(4-aminoquinazolin-2-yl)methyl 3-(1,3-dioxoisoindol-2-yl)propanoate

C20H16N4O4 — CID 55453723

IUPAC(4-aminoquinazolin-2-yl)methyl 3-(1,3-dioxoisoindol-2-yl)propanoate
SMILESNc1nc(COC(=O)CCN2C(=O)c3ccccc3C2=O)nc2ccccc12
InChIInChI=1S/C20H16N4O4/c21-18-14-7-3-4-8-15(14)22-16(23-18)11-28-17(25)9-10-24-19(26)12-5-1-2-6-13(12)20(24)27/h1-8H,9-11H2,(H2,21,22,23)
InChIKeyWQSAPLLMMUDPFV-UHFFFAOYSA-N
MW376.37 g/mol
LogP1.94
Rot. Bonds5

About (4-aminoquinazolin-2-yl)methyl 3-(1,3-dioxoisoindol-2-yl)propanoate

(4-aminoquinazolin-2-yl)methyl 3-(1,3-dioxoisoindol-2-yl)propanoate (PubChem CID 55453723) has the molecular formula C20H16N4O4 and a molecular weight of 376.37 g/mol. Its IUPAC name is (4-aminoquinazolin-2-yl)methyl 3-(1,3-dioxoisoindol-2-yl)propanoate.

Molecular Properties

Compound Name(4-aminoquinazolin-2-yl)methyl 3-(1,3-dioxoisoindol-2-yl)propanoate
PubChem CID55453723
Molecular FormulaC20H16N4O4
Molecular Weight376.37 g/mol
Exact Mass376.12
IUPAC Name(4-aminoquinazolin-2-yl)methyl 3-(1,3-dioxoisoindol-2-yl)propanoate
SMILESNc1nc(COC(=O)CCN2C(=O)c3ccccc3C2=O)nc2ccccc12
InChIInChI=1S/C20H16N4O4/c21-18-14-7-3-4-8-15(14)22-16(23-18)11-28-17(25)9-10-24-19(26)12-5-1-2-6-13(12)20(24)27/h1-8H,9-11H2,(H2,21,22,23)
InChIKeyWQSAPLLMMUDPFV-UHFFFAOYSA-N
XLogP1.94
TPSA115.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.37
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(4-aminoquinazolin-2-yl)methyl 3-phenoxypropanoate
CID 27914976
(4-aminoquinazolin-2-yl)methyl 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate
CID 27923645
1,3-benzoxazol-2-ylmethyl 3-(1,3-dioxoisoindol-2-yl)propanoate
CID 40763818
(4-aminoquinazolin-2-yl)methyl 2-(1,4-dioxo-3H-phthalazin-2-yl)acetate
CID 27908304
(4-aminoquinazolin-2-yl)methyl 4-(4-ethoxyphenyl)-4-oxobutanoate
CID 27908531
(4-aminoquinazolin-2-yl)methyl 2-(2-oxoazepan-1-yl)acetate
CID 27910056
(2,6-dichlorophenyl)methyl 3-(1,3-dioxoisoindol-2-yl)propanoate
CID 3379267
naphthalen-1-ylmethyl 3-(1-methylidene-3-oxoisoindol-2-yl)propanoate
CID 42384969
(4-aminoquinazolin-2-yl)methyl 3-methylbut-2-enoate
CID 27911356
(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl 3-(1,3-dioxoisoindol-2-yl)propanoate
CID 135729992
(4-hydroxyphenyl) 3-(1,3-dioxoisoindol-2-yl)propanoate
CID 23906269
(4-aminoquinazolin-2-yl)methyl 4-methoxybenzoate
CID 9451944

Frequently Asked Questions

What is the IUPAC name of (4-aminoquinazolin-2-yl)methyl 3-(1,3-dioxoisoindol-2-yl)propanoate?
The IUPAC name of (4-aminoquinazolin-2-yl)methyl 3-(1,3-dioxoisoindol-2-yl)propanoate (CID 55453723) is (4-aminoquinazolin-2-yl)methyl 3-(1,3-dioxoisoindol-2-yl)propanoate.
What is the SMILES notation for (4-aminoquinazolin-2-yl)methyl 3-(1,3-dioxoisoindol-2-yl)propanoate?
The canonical SMILES for (4-aminoquinazolin-2-yl)methyl 3-(1,3-dioxoisoindol-2-yl)propanoate is Nc1nc(COC(=O)CCN2C(=O)c3ccccc3C2=O)nc2ccccc12.
What is the InChIKey of (4-aminoquinazolin-2-yl)methyl 3-(1,3-dioxoisoindol-2-yl)propanoate?
The InChIKey is WQSAPLLMMUDPFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O4/c21-18-14-7-3-4-8-15(14)22-16(23-18)11-28-17(25)9-10-24-19(26)12-5-1-2-6-13(12)20(24)27/h1-8H,9-11H2,(H2,21,22,23).
What are the key properties of (4-aminoquinazolin-2-yl)methyl 3-(1,3-dioxoisoindol-2-yl)propanoate?
(4-aminoquinazolin-2-yl)methyl 3-(1,3-dioxoisoindol-2-yl)propanoate has a molecular weight of 376.37 g/mol, XLogP of 1.94, 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 3-(1,3-dioxoisoindol-2-yl)propanoate is sourced from PubChem (CID 55453723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).