N-(2-cyclobutyl-4-oxoquinazolin-3-yl)-2,6-dimethoxybenzamide

C21H21N3O4 — CID 655280

IUPACN-(2-cyclobutyl-4-oxoquinazolin-3-yl)-2,6-dimethoxybenzamide
SMILESCOc1cccc(OC)c1C(=O)Nn1c(C2CCC2)nc2ccccc2c1=O
InChIInChI=1S/C21H21N3O4/c1-27-16-11-6-12-17(28-2)18(16)20(25)23-24-19(13-7-5-8-13)22-15-10-4-3-9-14(15)21(24)26/h3-4,6,9-13H,5,7-8H2,1-2H3,(H,23,25)
InChIKeyQDSQUCRGTZVSJM-UHFFFAOYSA-N
MW379.42 g/mol
LogP3.07
Rot. Bonds5

About N-(2-cyclobutyl-4-oxoquinazolin-3-yl)-2,6-dimethoxybenzamide

N-(2-cyclobutyl-4-oxoquinazolin-3-yl)-2,6-dimethoxybenzamide (PubChem CID 655280) has the molecular formula C21H21N3O4 and a molecular weight of 379.42 g/mol. Its IUPAC name is N-(2-cyclobutyl-4-oxoquinazolin-3-yl)-2,6-dimethoxybenzamide.

Molecular Properties

Compound NameN-(2-cyclobutyl-4-oxoquinazolin-3-yl)-2,6-dimethoxybenzamide
PubChem CID655280
Molecular FormulaC21H21N3O4
Molecular Weight379.42 g/mol
Exact Mass379.15
IUPAC NameN-(2-cyclobutyl-4-oxoquinazolin-3-yl)-2,6-dimethoxybenzamide
SMILESCOc1cccc(OC)c1C(=O)Nn1c(C2CCC2)nc2ccccc2c1=O
InChIInChI=1S/C21H21N3O4/c1-27-16-11-6-12-17(28-2)18(16)20(25)23-24-19(13-7-5-8-13)22-15-10-4-3-9-14(15)21(24)26/h3-4,6,9-13H,5,7-8H2,1-2H3,(H,23,25)
InChIKeyQDSQUCRGTZVSJM-UHFFFAOYSA-N
XLogP3.07
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclobutyl-4-oxoquinazolin-3-yl)-2,6-dimethoxybenzamide?
The IUPAC name of N-(2-cyclobutyl-4-oxoquinazolin-3-yl)-2,6-dimethoxybenzamide (CID 655280) is N-(2-cyclobutyl-4-oxoquinazolin-3-yl)-2,6-dimethoxybenzamide.
What is the SMILES notation for N-(2-cyclobutyl-4-oxoquinazolin-3-yl)-2,6-dimethoxybenzamide?
The canonical SMILES for N-(2-cyclobutyl-4-oxoquinazolin-3-yl)-2,6-dimethoxybenzamide is COc1cccc(OC)c1C(=O)Nn1c(C2CCC2)nc2ccccc2c1=O.
What is the InChIKey of N-(2-cyclobutyl-4-oxoquinazolin-3-yl)-2,6-dimethoxybenzamide?
The InChIKey is QDSQUCRGTZVSJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O4/c1-27-16-11-6-12-17(28-2)18(16)20(25)23-24-19(13-7-5-8-13)22-15-10-4-3-9-14(15)21(24)26/h3-4,6,9-13H,5,7-8H2,1-2H3,(H,23,25).
What are the key properties of N-(2-cyclobutyl-4-oxoquinazolin-3-yl)-2,6-dimethoxybenzamide?
N-(2-cyclobutyl-4-oxoquinazolin-3-yl)-2,6-dimethoxybenzamide has a molecular weight of 379.42 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclobutyl-4-oxoquinazolin-3-yl)-2,6-dimethoxybenzamide is sourced from PubChem (CID 655280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).