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

C21H21N3O4 — CID 651248

IUPACN-(2-cyclobutyl-4-oxoquinazolin-3-yl)-2,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nn2c(C3CCC3)nc3ccccc3c2=O)c(OC)c1
InChIInChI=1S/C21H21N3O4/c1-27-14-10-11-16(18(12-14)28-2)20(25)23-24-19(13-6-5-7-13)22-17-9-4-3-8-15(17)21(24)26/h3-4,8-13H,5-7H2,1-2H3,(H,23,25)
InChIKeyQDQKDXYAJNXYQJ-UHFFFAOYSA-N
MW379.42 g/mol
LogP3.07
Rot. Bonds5

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

N-(2-cyclobutyl-4-oxoquinazolin-3-yl)-2,4-dimethoxybenzamide (PubChem CID 651248) 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)-2,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-(2-cyclobutyl-4-oxoquinazolin-3-yl)-2,4-dimethoxybenzamide
PubChem CID651248
Molecular FormulaC21H21N3O4
Molecular Weight379.42 g/mol
Exact Mass379.15
IUPAC NameN-(2-cyclobutyl-4-oxoquinazolin-3-yl)-2,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nn2c(C3CCC3)nc3ccccc3c2=O)c(OC)c1
InChIInChI=1S/C21H21N3O4/c1-27-14-10-11-16(18(12-14)28-2)20(25)23-24-19(13-6-5-7-13)22-17-9-4-3-8-15(17)21(24)26/h3-4,8-13H,5-7H2,1-2H3,(H,23,25)
InChIKeyQDQKDXYAJNXYQJ-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)-2,4-dimethoxybenzamide?
The IUPAC name of N-(2-cyclobutyl-4-oxoquinazolin-3-yl)-2,4-dimethoxybenzamide (CID 651248) is N-(2-cyclobutyl-4-oxoquinazolin-3-yl)-2,4-dimethoxybenzamide.
What is the SMILES notation for N-(2-cyclobutyl-4-oxoquinazolin-3-yl)-2,4-dimethoxybenzamide?
The canonical SMILES for N-(2-cyclobutyl-4-oxoquinazolin-3-yl)-2,4-dimethoxybenzamide is COc1ccc(C(=O)Nn2c(C3CCC3)nc3ccccc3c2=O)c(OC)c1.
What is the InChIKey of N-(2-cyclobutyl-4-oxoquinazolin-3-yl)-2,4-dimethoxybenzamide?
The InChIKey is QDQKDXYAJNXYQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O4/c1-27-14-10-11-16(18(12-14)28-2)20(25)23-24-19(13-6-5-7-13)22-17-9-4-3-8-15(17)21(24)26/h3-4,8-13H,5-7H2,1-2H3,(H,23,25).
What are the key properties of N-(2-cyclobutyl-4-oxoquinazolin-3-yl)-2,4-dimethoxybenzamide?
N-(2-cyclobutyl-4-oxoquinazolin-3-yl)-2,4-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)-2,4-dimethoxybenzamide is sourced from PubChem (CID 651248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).