(4-aminoquinazolin-2-yl)methyl 3-phenoxypropanoate

C18H17N3O3 — CID 27914976

IUPAC(4-aminoquinazolin-2-yl)methyl 3-phenoxypropanoate
SMILESNc1nc(COC(=O)CCOc2ccccc2)nc2ccccc12
InChIInChI=1S/C18H17N3O3/c19-18-14-8-4-5-9-15(14)20-16(21-18)12-24-17(22)10-11-23-13-6-2-1-3-7-13/h1-9H,10-12H2,(H2,19,20,21)
InChIKeyYGWWOHILJBEXDF-UHFFFAOYSA-N
MW323.35 g/mol
LogP2.72
Rot. Bonds6

About (4-aminoquinazolin-2-yl)methyl 3-phenoxypropanoate

(4-aminoquinazolin-2-yl)methyl 3-phenoxypropanoate (PubChem CID 27914976) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is (4-aminoquinazolin-2-yl)methyl 3-phenoxypropanoate.

Molecular Properties

Compound Name(4-aminoquinazolin-2-yl)methyl 3-phenoxypropanoate
PubChem CID27914976
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC Name(4-aminoquinazolin-2-yl)methyl 3-phenoxypropanoate
SMILESNc1nc(COC(=O)CCOc2ccccc2)nc2ccccc12
InChIInChI=1S/C18H17N3O3/c19-18-14-8-4-5-9-15(14)20-16(21-18)12-24-17(22)10-11-23-13-6-2-1-3-7-13/h1-9H,10-12H2,(H2,19,20,21)
InChIKeyYGWWOHILJBEXDF-UHFFFAOYSA-N
XLogP2.72
TPSA87.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(4-aminoquinazolin-2-yl)methyl 4-(4-ethoxyphenyl)-4-oxobutanoate
CID 27908531
(4-aminoquinazolin-2-yl)methyl 3-(1,3-dioxoisoindol-2-yl)propanoate
CID 55453723
(4-aminoquinazolin-2-yl)methyl 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate
CID 27923645
(4-aminoquinazolin-2-yl)methyl 2-methyl-2-phenylpropanoate
CID 9451851
(4-aminoquinazolin-2-yl)methyl 2,6-dimethoxybenzoate
CID 9451142
(4-aminoquinazolin-2-yl)methyl 2-(1,4-dioxo-3H-phthalazin-2-yl)acetate
CID 27908304
(4,6-diamino-1,3,5-triazin-2-yl)methyl 2-phenoxyacetate
CID 9416576
2-[(2-aminophenoxy)methyl]quinazolin-4-amine
CID 61026770
propyl 3-phenoxypropanoate
CID 43389568
(4-cyanophenyl)methyl 3-phenoxypropanoate
CID 23856865
(4-aminoquinazolin-2-yl)methyl 2-(2-oxoazepan-1-yl)acetate
CID 27910056
ethyl 3-phenoxypropanoate;hydrochloride
CID 172712926

Frequently Asked Questions

What is the IUPAC name of (4-aminoquinazolin-2-yl)methyl 3-phenoxypropanoate?
The IUPAC name of (4-aminoquinazolin-2-yl)methyl 3-phenoxypropanoate (CID 27914976) is (4-aminoquinazolin-2-yl)methyl 3-phenoxypropanoate.
What is the SMILES notation for (4-aminoquinazolin-2-yl)methyl 3-phenoxypropanoate?
The canonical SMILES for (4-aminoquinazolin-2-yl)methyl 3-phenoxypropanoate is Nc1nc(COC(=O)CCOc2ccccc2)nc2ccccc12.
What is the InChIKey of (4-aminoquinazolin-2-yl)methyl 3-phenoxypropanoate?
The InChIKey is YGWWOHILJBEXDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3/c19-18-14-8-4-5-9-15(14)20-16(21-18)12-24-17(22)10-11-23-13-6-2-1-3-7-13/h1-9H,10-12H2,(H2,19,20,21).
What are the key properties of (4-aminoquinazolin-2-yl)methyl 3-phenoxypropanoate?
(4-aminoquinazolin-2-yl)methyl 3-phenoxypropanoate has a molecular weight of 323.35 g/mol, XLogP of 2.72, 6 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-phenoxypropanoate is sourced from PubChem (CID 27914976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).