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

C23H20N2O4 — CID 14423769

IUPACethyl 2-[3-(naphthalen-1-ylmethyl)-2,4-dioxoquinazolin-1-yl]acetate
SMILESCCOC(=O)Cn1c(=O)n(Cc2cccc3ccccc23)c(=O)c2ccccc21
InChIInChI=1S/C23H20N2O4/c1-2-29-21(26)15-24-20-13-6-5-12-19(20)22(27)25(23(24)28)14-17-10-7-9-16-8-3-4-11-18(16)17/h3-13H,2,14-15H2,1H3
InChIKeyNEKXOSWBSUBFJM-UHFFFAOYSA-N
MW388.42 g/mol
LogP2.93
Rot. Bonds5

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

ethyl 2-[3-(naphthalen-1-ylmethyl)-2,4-dioxoquinazolin-1-yl]acetate (PubChem CID 14423769) has the molecular formula C23H20N2O4 and a molecular weight of 388.42 g/mol. Its IUPAC name is ethyl 2-[3-(naphthalen-1-ylmethyl)-2,4-dioxoquinazolin-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[3-(naphthalen-1-ylmethyl)-2,4-dioxoquinazolin-1-yl]acetate
PubChem CID14423769
Molecular FormulaC23H20N2O4
Molecular Weight388.42 g/mol
Exact Mass388.14
IUPAC Nameethyl 2-[3-(naphthalen-1-ylmethyl)-2,4-dioxoquinazolin-1-yl]acetate
SMILESCCOC(=O)Cn1c(=O)n(Cc2cccc3ccccc23)c(=O)c2ccccc21
InChIInChI=1S/C23H20N2O4/c1-2-29-21(26)15-24-20-13-6-5-12-19(20)22(27)25(23(24)28)14-17-10-7-9-16-8-3-4-11-18(16)17/h3-13H,2,14-15H2,1H3
InChIKeyNEKXOSWBSUBFJM-UHFFFAOYSA-N
XLogP2.93
TPSA70.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetate
CID 47149271
ethyl 2-[3-(2-aminoethyl)-2,4-dioxoquinazolin-1-yl]acetate
CID 139690708
ethyl 2-[3-[(2,4-dichlorophenyl)methyl]-2,4-dioxoquinazolin-1-yl]acetate
CID 19838821
ethyl 2-[2,4-dioxo-3-(thiophen-2-ylmethyl)quinazolin-1-yl]acetate
CID 14458954
ethyl 2-(2,4-dioxo-3-prop-2-enylquinazolin-1-yl)acetate
CID 97035556
methyl 2-[3-(2-methoxy-2-oxoethyl)-2,4-dioxoquinazolin-1-yl]acetate
CID 1265260
ethyl 2-[3-[(2-chlorophenyl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidin-1-yl]acetate
CID 6619883
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 3-[6-cyano-3-(naphthalen-1-ylmethyl)-2-oxobenzimidazol-1-yl]propanoate
CID 59497422
ethyl 2-(3-hydroxy-2-oxobenzimidazol-1-yl)acetate
CID 121354507
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-(naphthalen-1-ylmethyl)-2,4-dioxoquinazolin-1-yl]acetate?
The IUPAC name of ethyl 2-[3-(naphthalen-1-ylmethyl)-2,4-dioxoquinazolin-1-yl]acetate (CID 14423769) is ethyl 2-[3-(naphthalen-1-ylmethyl)-2,4-dioxoquinazolin-1-yl]acetate.
What is the SMILES notation for ethyl 2-[3-(naphthalen-1-ylmethyl)-2,4-dioxoquinazolin-1-yl]acetate?
The canonical SMILES for ethyl 2-[3-(naphthalen-1-ylmethyl)-2,4-dioxoquinazolin-1-yl]acetate is CCOC(=O)Cn1c(=O)n(Cc2cccc3ccccc23)c(=O)c2ccccc21.
What is the InChIKey of ethyl 2-[3-(naphthalen-1-ylmethyl)-2,4-dioxoquinazolin-1-yl]acetate?
The InChIKey is NEKXOSWBSUBFJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O4/c1-2-29-21(26)15-24-20-13-6-5-12-19(20)22(27)25(23(24)28)14-17-10-7-9-16-8-3-4-11-18(16)17/h3-13H,2,14-15H2,1H3.
What are the key properties of ethyl 2-[3-(naphthalen-1-ylmethyl)-2,4-dioxoquinazolin-1-yl]acetate?
ethyl 2-[3-(naphthalen-1-ylmethyl)-2,4-dioxoquinazolin-1-yl]acetate has a molecular weight of 388.42 g/mol, XLogP of 2.93, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-(naphthalen-1-ylmethyl)-2,4-dioxoquinazolin-1-yl]acetate is sourced from PubChem (CID 14423769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).