N-(2-cyclobutyl-4-oxoquinazolin-3-yl)-2-ethoxybenzamide

C21H21N3O3 — CID 650215

IUPACN-(2-cyclobutyl-4-oxoquinazolin-3-yl)-2-ethoxybenzamide
SMILESCCOc1ccccc1C(=O)Nn1c(C2CCC2)nc2ccccc2c1=O
InChIInChI=1S/C21H21N3O3/c1-2-27-18-13-6-4-11-16(18)20(25)23-24-19(14-8-7-9-14)22-17-12-5-3-10-15(17)21(24)26/h3-6,10-14H,2,7-9H2,1H3,(H,23,25)
InChIKeyGZNPULYSFAFHCD-UHFFFAOYSA-N
MW363.42 g/mol
LogP3.45
Rot. Bonds5

About N-(2-cyclobutyl-4-oxoquinazolin-3-yl)-2-ethoxybenzamide

N-(2-cyclobutyl-4-oxoquinazolin-3-yl)-2-ethoxybenzamide (PubChem CID 650215) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is N-(2-cyclobutyl-4-oxoquinazolin-3-yl)-2-ethoxybenzamide.

Molecular Properties

Compound NameN-(2-cyclobutyl-4-oxoquinazolin-3-yl)-2-ethoxybenzamide
PubChem CID650215
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC NameN-(2-cyclobutyl-4-oxoquinazolin-3-yl)-2-ethoxybenzamide
SMILESCCOc1ccccc1C(=O)Nn1c(C2CCC2)nc2ccccc2c1=O
InChIInChI=1S/C21H21N3O3/c1-2-27-18-13-6-4-11-16(18)20(25)23-24-19(14-8-7-9-14)22-17-12-5-3-10-15(17)21(24)26/h3-6,10-14H,2,7-9H2,1H3,(H,23,25)
InChIKeyGZNPULYSFAFHCD-UHFFFAOYSA-N
XLogP3.45
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclobutyl-4-oxoquinazolin-3-yl)-2-ethoxybenzamide?
The IUPAC name of N-(2-cyclobutyl-4-oxoquinazolin-3-yl)-2-ethoxybenzamide (CID 650215) is N-(2-cyclobutyl-4-oxoquinazolin-3-yl)-2-ethoxybenzamide.
What is the SMILES notation for N-(2-cyclobutyl-4-oxoquinazolin-3-yl)-2-ethoxybenzamide?
The canonical SMILES for N-(2-cyclobutyl-4-oxoquinazolin-3-yl)-2-ethoxybenzamide is CCOc1ccccc1C(=O)Nn1c(C2CCC2)nc2ccccc2c1=O.
What is the InChIKey of N-(2-cyclobutyl-4-oxoquinazolin-3-yl)-2-ethoxybenzamide?
The InChIKey is GZNPULYSFAFHCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3/c1-2-27-18-13-6-4-11-16(18)20(25)23-24-19(14-8-7-9-14)22-17-12-5-3-10-15(17)21(24)26/h3-6,10-14H,2,7-9H2,1H3,(H,23,25).
What are the key properties of N-(2-cyclobutyl-4-oxoquinazolin-3-yl)-2-ethoxybenzamide?
N-(2-cyclobutyl-4-oxoquinazolin-3-yl)-2-ethoxybenzamide has a molecular weight of 363.42 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclobutyl-4-oxoquinazolin-3-yl)-2-ethoxybenzamide is sourced from PubChem (CID 650215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).