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

C21H21N3O5 — CID 71746096

IUPAC2-(1-methyl-2,4-dioxoquinazolin-3-yl)ethyl 2-[(4-methylbenzoyl)amino]acetate
SMILESCc1ccc(C(=O)NCC(=O)OCCn2c(=O)c3ccccc3n(C)c2=O)cc1
InChIInChI=1S/C21H21N3O5/c1-14-7-9-15(10-8-14)19(26)22-13-18(25)29-12-11-24-20(27)16-5-3-4-6-17(16)23(2)21(24)28/h3-10H,11-13H2,1-2H3,(H,22,26)
InChIKeyOARFXTAPBFCISR-UHFFFAOYSA-N
MW395.42 g/mol
LogP0.98
Rot. Bonds6

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

2-(1-methyl-2,4-dioxoquinazolin-3-yl)ethyl 2-[(4-methylbenzoyl)amino]acetate (PubChem CID 71746096) has the molecular formula C21H21N3O5 and a molecular weight of 395.42 g/mol. Its IUPAC name is 2-(1-methyl-2,4-dioxoquinazolin-3-yl)ethyl 2-[(4-methylbenzoyl)amino]acetate.

Molecular Properties

Compound Name2-(1-methyl-2,4-dioxoquinazolin-3-yl)ethyl 2-[(4-methylbenzoyl)amino]acetate
PubChem CID71746096
Molecular FormulaC21H21N3O5
Molecular Weight395.42 g/mol
Exact Mass395.15
IUPAC Name2-(1-methyl-2,4-dioxoquinazolin-3-yl)ethyl 2-[(4-methylbenzoyl)amino]acetate
SMILESCc1ccc(C(=O)NCC(=O)OCCn2c(=O)c3ccccc3n(C)c2=O)cc1
InChIInChI=1S/C21H21N3O5/c1-14-7-9-15(10-8-14)19(26)22-13-18(25)29-12-11-24-20(27)16-5-3-4-6-17(16)23(2)21(24)28/h3-10H,11-13H2,1-2H3,(H,22,26)
InChIKeyOARFXTAPBFCISR-UHFFFAOYSA-N
XLogP0.98
TPSA99.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.42
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methyl-2,4-dioxoquinazolin-3-yl)ethyl 2-[(4-methylbenzoyl)amino]acetate?
The IUPAC name of 2-(1-methyl-2,4-dioxoquinazolin-3-yl)ethyl 2-[(4-methylbenzoyl)amino]acetate (CID 71746096) is 2-(1-methyl-2,4-dioxoquinazolin-3-yl)ethyl 2-[(4-methylbenzoyl)amino]acetate.
What is the SMILES notation for 2-(1-methyl-2,4-dioxoquinazolin-3-yl)ethyl 2-[(4-methylbenzoyl)amino]acetate?
The canonical SMILES for 2-(1-methyl-2,4-dioxoquinazolin-3-yl)ethyl 2-[(4-methylbenzoyl)amino]acetate is Cc1ccc(C(=O)NCC(=O)OCCn2c(=O)c3ccccc3n(C)c2=O)cc1.
What is the InChIKey of 2-(1-methyl-2,4-dioxoquinazolin-3-yl)ethyl 2-[(4-methylbenzoyl)amino]acetate?
The InChIKey is OARFXTAPBFCISR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O5/c1-14-7-9-15(10-8-14)19(26)22-13-18(25)29-12-11-24-20(27)16-5-3-4-6-17(16)23(2)21(24)28/h3-10H,11-13H2,1-2H3,(H,22,26).
What are the key properties of 2-(1-methyl-2,4-dioxoquinazolin-3-yl)ethyl 2-[(4-methylbenzoyl)amino]acetate?
2-(1-methyl-2,4-dioxoquinazolin-3-yl)ethyl 2-[(4-methylbenzoyl)amino]acetate has a molecular weight of 395.42 g/mol, XLogP of 0.98, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyl-2,4-dioxoquinazolin-3-yl)ethyl 2-[(4-methylbenzoyl)amino]acetate is sourced from PubChem (CID 71746096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).