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

C22H17N3O3 — CID 2545082

IUPACN-(2-methyl-4-oxoquinazolin-3-yl)-3-phenoxybenzamide
SMILESCc1nc2ccccc2c(=O)n1NC(=O)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C22H17N3O3/c1-15-23-20-13-6-5-12-19(20)22(27)25(15)24-21(26)16-8-7-11-18(14-16)28-17-9-3-2-4-10-17/h2-14H,1H3,(H,24,26)
InChIKeyZJZBORNKLHYNKO-UHFFFAOYSA-N
MW371.40 g/mol
LogP3.88
Rot. Bonds4

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

N-(2-methyl-4-oxoquinazolin-3-yl)-3-phenoxybenzamide (PubChem CID 2545082) has the molecular formula C22H17N3O3 and a molecular weight of 371.40 g/mol. Its IUPAC name is N-(2-methyl-4-oxoquinazolin-3-yl)-3-phenoxybenzamide.

Molecular Properties

Compound NameN-(2-methyl-4-oxoquinazolin-3-yl)-3-phenoxybenzamide
PubChem CID2545082
Molecular FormulaC22H17N3O3
Molecular Weight371.40 g/mol
Exact Mass371.13
IUPAC NameN-(2-methyl-4-oxoquinazolin-3-yl)-3-phenoxybenzamide
SMILESCc1nc2ccccc2c(=O)n1NC(=O)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C22H17N3O3/c1-15-23-20-13-6-5-12-19(20)22(27)25(15)24-21(26)16-8-7-11-18(14-16)28-17-9-3-2-4-10-17/h2-14H,1H3,(H,24,26)
InChIKeyZJZBORNKLHYNKO-UHFFFAOYSA-N
XLogP3.88
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 53.88
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)-3-phenoxybenzamide?
The IUPAC name of N-(2-methyl-4-oxoquinazolin-3-yl)-3-phenoxybenzamide (CID 2545082) is N-(2-methyl-4-oxoquinazolin-3-yl)-3-phenoxybenzamide.
What is the SMILES notation for N-(2-methyl-4-oxoquinazolin-3-yl)-3-phenoxybenzamide?
The canonical SMILES for N-(2-methyl-4-oxoquinazolin-3-yl)-3-phenoxybenzamide is Cc1nc2ccccc2c(=O)n1NC(=O)c1cccc(Oc2ccccc2)c1.
What is the InChIKey of N-(2-methyl-4-oxoquinazolin-3-yl)-3-phenoxybenzamide?
The InChIKey is ZJZBORNKLHYNKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O3/c1-15-23-20-13-6-5-12-19(20)22(27)25(15)24-21(26)16-8-7-11-18(14-16)28-17-9-3-2-4-10-17/h2-14H,1H3,(H,24,26).
What are the key properties of N-(2-methyl-4-oxoquinazolin-3-yl)-3-phenoxybenzamide?
N-(2-methyl-4-oxoquinazolin-3-yl)-3-phenoxybenzamide has a molecular weight of 371.40 g/mol, XLogP of 3.88, 4 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)-3-phenoxybenzamide is sourced from PubChem (CID 2545082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).