N-(2-methyl-4-oxoquinazolin-3-yl)-4-propoxybenzamide

C19H19N3O3 — CID 3237593

IUPACN-(2-methyl-4-oxoquinazolin-3-yl)-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)Nn2c(C)nc3ccccc3c2=O)cc1
InChIInChI=1S/C19H19N3O3/c1-3-12-25-15-10-8-14(9-11-15)18(23)21-22-13(2)20-17-7-5-4-6-16(17)19(22)24/h4-11H,3,12H2,1-2H3,(H,21,23)
InChIKeyBOOWUXLMNBRCMG-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.88
Rot. Bonds5

About N-(2-methyl-4-oxoquinazolin-3-yl)-4-propoxybenzamide

N-(2-methyl-4-oxoquinazolin-3-yl)-4-propoxybenzamide (PubChem CID 3237593) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is N-(2-methyl-4-oxoquinazolin-3-yl)-4-propoxybenzamide.

Molecular Properties

Compound NameN-(2-methyl-4-oxoquinazolin-3-yl)-4-propoxybenzamide
PubChem CID3237593
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC NameN-(2-methyl-4-oxoquinazolin-3-yl)-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)Nn2c(C)nc3ccccc3c2=O)cc1
InChIInChI=1S/C19H19N3O3/c1-3-12-25-15-10-8-14(9-11-15)18(23)21-22-13(2)20-17-7-5-4-6-16(17)19(22)24/h4-11H,3,12H2,1-2H3,(H,21,23)
InChIKeyBOOWUXLMNBRCMG-UHFFFAOYSA-N
XLogP2.88
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-4-oxoquinazolin-3-yl)-4-propoxybenzamide?
The IUPAC name of N-(2-methyl-4-oxoquinazolin-3-yl)-4-propoxybenzamide (CID 3237593) is N-(2-methyl-4-oxoquinazolin-3-yl)-4-propoxybenzamide.
What is the SMILES notation for N-(2-methyl-4-oxoquinazolin-3-yl)-4-propoxybenzamide?
The canonical SMILES for N-(2-methyl-4-oxoquinazolin-3-yl)-4-propoxybenzamide is CCCOc1ccc(C(=O)Nn2c(C)nc3ccccc3c2=O)cc1.
What is the InChIKey of N-(2-methyl-4-oxoquinazolin-3-yl)-4-propoxybenzamide?
The InChIKey is BOOWUXLMNBRCMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-3-12-25-15-10-8-14(9-11-15)18(23)21-22-13(2)20-17-7-5-4-6-16(17)19(22)24/h4-11H,3,12H2,1-2H3,(H,21,23).
What are the key properties of N-(2-methyl-4-oxoquinazolin-3-yl)-4-propoxybenzamide?
N-(2-methyl-4-oxoquinazolin-3-yl)-4-propoxybenzamide has a molecular weight of 337.38 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-4-oxoquinazolin-3-yl)-4-propoxybenzamide is sourced from PubChem (CID 3237593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).