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

C19H16Cl2N2O4 — CID 19838821

IUPACethyl 2-[3-[(2,4-dichlorophenyl)methyl]-2,4-dioxoquinazolin-1-yl]acetate
SMILESCCOC(=O)Cn1c(=O)n(Cc2ccc(Cl)cc2Cl)c(=O)c2ccccc21
InChIInChI=1S/C19H16Cl2N2O4/c1-2-27-17(24)11-22-16-6-4-3-5-14(16)18(25)23(19(22)26)10-12-7-8-13(20)9-15(12)21/h3-9H,2,10-11H2,1H3
InChIKeyAKAUCTUHPKWNCF-UHFFFAOYSA-N
MW407.25 g/mol
LogP3.08
Rot. Bonds5

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

ethyl 2-[3-[(2,4-dichlorophenyl)methyl]-2,4-dioxoquinazolin-1-yl]acetate (PubChem CID 19838821) has the molecular formula C19H16Cl2N2O4 and a molecular weight of 407.25 g/mol. Its IUPAC name is ethyl 2-[3-[(2,4-dichlorophenyl)methyl]-2,4-dioxoquinazolin-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[3-[(2,4-dichlorophenyl)methyl]-2,4-dioxoquinazolin-1-yl]acetate
PubChem CID19838821
Molecular FormulaC19H16Cl2N2O4
Molecular Weight407.25 g/mol
Exact Mass406.05
IUPAC Nameethyl 2-[3-[(2,4-dichlorophenyl)methyl]-2,4-dioxoquinazolin-1-yl]acetate
SMILESCCOC(=O)Cn1c(=O)n(Cc2ccc(Cl)cc2Cl)c(=O)c2ccccc21
InChIInChI=1S/C19H16Cl2N2O4/c1-2-27-17(24)11-22-16-6-4-3-5-14(16)18(25)23(19(22)26)10-12-7-8-13(20)9-15(12)21/h3-9H,2,10-11H2,1H3
InChIKeyAKAUCTUHPKWNCF-UHFFFAOYSA-N
XLogP3.08
TPSA70.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.25
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-[3-(naphthalen-1-ylmethyl)-2,4-dioxoquinazolin-1-yl]acetate
CID 14423769
ethyl 2-[3-(2-aminoethyl)-2,4-dioxoquinazolin-1-yl]acetate
CID 139690708
ethyl 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetate
CID 47149271
ethyl 2-[6-tert-butyl-3-[(2,4-dichlorophenyl)methyl]-2,4-dioxothieno[2,3-d]pyrimidin-1-yl]acetate
CID 10389924
ethyl 2-[3-[(2,4-dichlorophenyl)methyl]-5,6-dimethyl-2,4-dioxothieno[2,3-d]pyrimidin-1-yl]acetate
CID 10366008
ethyl 2-[2,4-dioxo-3-(thiophen-2-ylmethyl)quinazolin-1-yl]acetate
CID 14458954
ethyl 2-[3-[(2-chlorophenyl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidin-1-yl]acetate
CID 6619883
(2,4-dichlorophenyl)methyl 2-(9-oxoacridin-10-yl)acetate
CID 16587182
ethyl 2-(2,4-dioxo-3-prop-2-enylquinazolin-1-yl)acetate
CID 97035556
2-[3-[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl]-2,4-dioxoquinazolin-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 154581966
methyl 2-(3-benzyl-2,4-dioxoquinazolin-1-yl)acetate
CID 154831058
methyl 2-[3-(2-methoxy-2-oxoethyl)-2,4-dioxoquinazolin-1-yl]acetate
CID 1265260

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-[(2,4-dichlorophenyl)methyl]-2,4-dioxoquinazolin-1-yl]acetate?
The IUPAC name of ethyl 2-[3-[(2,4-dichlorophenyl)methyl]-2,4-dioxoquinazolin-1-yl]acetate (CID 19838821) is ethyl 2-[3-[(2,4-dichlorophenyl)methyl]-2,4-dioxoquinazolin-1-yl]acetate.
What is the SMILES notation for ethyl 2-[3-[(2,4-dichlorophenyl)methyl]-2,4-dioxoquinazolin-1-yl]acetate?
The canonical SMILES for ethyl 2-[3-[(2,4-dichlorophenyl)methyl]-2,4-dioxoquinazolin-1-yl]acetate is CCOC(=O)Cn1c(=O)n(Cc2ccc(Cl)cc2Cl)c(=O)c2ccccc21.
What is the InChIKey of ethyl 2-[3-[(2,4-dichlorophenyl)methyl]-2,4-dioxoquinazolin-1-yl]acetate?
The InChIKey is AKAUCTUHPKWNCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2N2O4/c1-2-27-17(24)11-22-16-6-4-3-5-14(16)18(25)23(19(22)26)10-12-7-8-13(20)9-15(12)21/h3-9H,2,10-11H2,1H3.
What are the key properties of ethyl 2-[3-[(2,4-dichlorophenyl)methyl]-2,4-dioxoquinazolin-1-yl]acetate?
ethyl 2-[3-[(2,4-dichlorophenyl)methyl]-2,4-dioxoquinazolin-1-yl]acetate has a molecular weight of 407.25 g/mol, XLogP of 3.08, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-[(2,4-dichlorophenyl)methyl]-2,4-dioxoquinazolin-1-yl]acetate is sourced from PubChem (CID 19838821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).