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

C20H19N3O3 — CID 648030

IUPACN-(2-cyclobutyl-4-oxoquinazolin-3-yl)-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nn1c(C2CCC2)nc2ccccc2c1=O
InChIInChI=1S/C20H19N3O3/c1-26-17-12-5-3-10-15(17)19(24)22-23-18(13-7-6-8-13)21-16-11-4-2-9-14(16)20(23)25/h2-5,9-13H,6-8H2,1H3,(H,22,24)
InChIKeyKQQCWALOTHZBNU-UHFFFAOYSA-N
MW349.39 g/mol
LogP3.06
Rot. Bonds4

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

N-(2-cyclobutyl-4-oxoquinazolin-3-yl)-2-methoxybenzamide (PubChem CID 648030) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is N-(2-cyclobutyl-4-oxoquinazolin-3-yl)-2-methoxybenzamide.

Molecular Properties

Compound NameN-(2-cyclobutyl-4-oxoquinazolin-3-yl)-2-methoxybenzamide
PubChem CID648030
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC NameN-(2-cyclobutyl-4-oxoquinazolin-3-yl)-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nn1c(C2CCC2)nc2ccccc2c1=O
InChIInChI=1S/C20H19N3O3/c1-26-17-12-5-3-10-15(17)19(24)22-23-18(13-7-6-8-13)21-16-11-4-2-9-14(16)20(23)25/h2-5,9-13H,6-8H2,1H3,(H,22,24)
InChIKeyKQQCWALOTHZBNU-UHFFFAOYSA-N
XLogP3.06
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 53.06
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-methoxybenzamide?
The IUPAC name of N-(2-cyclobutyl-4-oxoquinazolin-3-yl)-2-methoxybenzamide (CID 648030) is N-(2-cyclobutyl-4-oxoquinazolin-3-yl)-2-methoxybenzamide.
What is the SMILES notation for N-(2-cyclobutyl-4-oxoquinazolin-3-yl)-2-methoxybenzamide?
The canonical SMILES for N-(2-cyclobutyl-4-oxoquinazolin-3-yl)-2-methoxybenzamide is COc1ccccc1C(=O)Nn1c(C2CCC2)nc2ccccc2c1=O.
What is the InChIKey of N-(2-cyclobutyl-4-oxoquinazolin-3-yl)-2-methoxybenzamide?
The InChIKey is KQQCWALOTHZBNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3/c1-26-17-12-5-3-10-15(17)19(24)22-23-18(13-7-6-8-13)21-16-11-4-2-9-14(16)20(23)25/h2-5,9-13H,6-8H2,1H3,(H,22,24).
What are the key properties of N-(2-cyclobutyl-4-oxoquinazolin-3-yl)-2-methoxybenzamide?
N-(2-cyclobutyl-4-oxoquinazolin-3-yl)-2-methoxybenzamide has a molecular weight of 349.39 g/mol, XLogP of 3.06, 4 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-methoxybenzamide is sourced from PubChem (CID 648030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).