ethyl 2-[3-(2-aminoethyl)-2,4-dioxoquinazolin-1-yl]acetate

C14H17N3O4 — CID 139690708

IUPACethyl 2-[3-(2-aminoethyl)-2,4-dioxoquinazolin-1-yl]acetate
SMILESCCOC(=O)Cn1c(=O)n(CCN)c(=O)c2ccccc21
InChIInChI=1S/C14H17N3O4/c1-2-21-12(18)9-17-11-6-4-3-5-10(11)13(19)16(8-7-15)14(17)20/h3-6H,2,7-9,15H2,1H3
InChIKeyDLVJPZINMHQXCQ-UHFFFAOYSA-N
MW291.31 g/mol
LogP-0.31
Rot. Bonds5

About ethyl 2-[3-(2-aminoethyl)-2,4-dioxoquinazolin-1-yl]acetate

ethyl 2-[3-(2-aminoethyl)-2,4-dioxoquinazolin-1-yl]acetate (PubChem CID 139690708) has the molecular formula C14H17N3O4 and a molecular weight of 291.31 g/mol. Its IUPAC name is ethyl 2-[3-(2-aminoethyl)-2,4-dioxoquinazolin-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[3-(2-aminoethyl)-2,4-dioxoquinazolin-1-yl]acetate
PubChem CID139690708
Molecular FormulaC14H17N3O4
Molecular Weight291.31 g/mol
Exact Mass291.12
IUPAC Nameethyl 2-[3-(2-aminoethyl)-2,4-dioxoquinazolin-1-yl]acetate
SMILESCCOC(=O)Cn1c(=O)n(CCN)c(=O)c2ccccc21
InChIInChI=1S/C14H17N3O4/c1-2-21-12(18)9-17-11-6-4-3-5-10(11)13(19)16(8-7-15)14(17)20/h3-6H,2,7-9,15H2,1H3
InChIKeyDLVJPZINMHQXCQ-UHFFFAOYSA-N
XLogP-0.31
TPSA96.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 5-0.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetate
CID 47149271
ethyl 2-(2,4-dioxo-3-prop-2-enylquinazolin-1-yl)acetate
CID 97035556
ethyl 2-[3-(naphthalen-1-ylmethyl)-2,4-dioxoquinazolin-1-yl]acetate
CID 14423769
ethyl 2-[2,4-dioxo-3-(thiophen-2-ylmethyl)quinazolin-1-yl]acetate
CID 14458954
ethyl 2-[3-[(2,4-dichlorophenyl)methyl]-2,4-dioxoquinazolin-1-yl]acetate
CID 19838821
methyl 2-[3-(2-methoxy-2-oxoethyl)-2,4-dioxoquinazolin-1-yl]acetate
CID 1265260
ethyl 6-[1-(4-bromobutyl)-2,4-dioxoquinazolin-3-yl]hexanoate
CID 22449662
ethyl 2-(3-hydroxy-2-oxobenzimidazol-1-yl)acetate
CID 121354507
3-(2-aminoethyl)-1-methylquinazoline-2,4-dione;hydrochloride
CID 75485502
methyl 2-(3-benzyl-2,4-dioxoquinazolin-1-yl)acetate
CID 154831058
[2-oxo-2-[(2-phenylacetyl)amino]ethyl] 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetate
CID 33089518
ethyl 6-[[2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetyl]oxymethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 27936027

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-(2-aminoethyl)-2,4-dioxoquinazolin-1-yl]acetate?
The IUPAC name of ethyl 2-[3-(2-aminoethyl)-2,4-dioxoquinazolin-1-yl]acetate (CID 139690708) is ethyl 2-[3-(2-aminoethyl)-2,4-dioxoquinazolin-1-yl]acetate.
What is the SMILES notation for ethyl 2-[3-(2-aminoethyl)-2,4-dioxoquinazolin-1-yl]acetate?
The canonical SMILES for ethyl 2-[3-(2-aminoethyl)-2,4-dioxoquinazolin-1-yl]acetate is CCOC(=O)Cn1c(=O)n(CCN)c(=O)c2ccccc21.
What is the InChIKey of ethyl 2-[3-(2-aminoethyl)-2,4-dioxoquinazolin-1-yl]acetate?
The InChIKey is DLVJPZINMHQXCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4/c1-2-21-12(18)9-17-11-6-4-3-5-10(11)13(19)16(8-7-15)14(17)20/h3-6H,2,7-9,15H2,1H3.
What are the key properties of ethyl 2-[3-(2-aminoethyl)-2,4-dioxoquinazolin-1-yl]acetate?
ethyl 2-[3-(2-aminoethyl)-2,4-dioxoquinazolin-1-yl]acetate has a molecular weight of 291.31 g/mol, XLogP of -0.31, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-(2-aminoethyl)-2,4-dioxoquinazolin-1-yl]acetate is sourced from PubChem (CID 139690708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).