N-benzyl-2-methyl-N-quinazolin-6-ylbenzamide

C23H19N3O — CID 69003997

IUPACN-benzyl-2-methyl-N-quinazolin-6-ylbenzamide
SMILESCc1ccccc1C(=O)N(Cc1ccccc1)c1ccc2ncncc2c1
InChIInChI=1S/C23H19N3O/c1-17-7-5-6-10-21(17)23(27)26(15-18-8-3-2-4-9-18)20-11-12-22-19(13-20)14-24-16-25-22/h2-14,16H,15H2,1H3
InChIKeyMTOUROPVRHMNHP-UHFFFAOYSA-N
MW353.43 g/mol
LogP4.79
Rot. Bonds4

About N-benzyl-2-methyl-N-quinazolin-6-ylbenzamide

N-benzyl-2-methyl-N-quinazolin-6-ylbenzamide (PubChem CID 69003997) has the molecular formula C23H19N3O and a molecular weight of 353.43 g/mol. Its IUPAC name is N-benzyl-2-methyl-N-quinazolin-6-ylbenzamide.

Molecular Properties

Compound NameN-benzyl-2-methyl-N-quinazolin-6-ylbenzamide
PubChem CID69003997
Molecular FormulaC23H19N3O
Molecular Weight353.43 g/mol
Exact Mass353.15
IUPAC NameN-benzyl-2-methyl-N-quinazolin-6-ylbenzamide
SMILESCc1ccccc1C(=O)N(Cc1ccccc1)c1ccc2ncncc2c1
InChIInChI=1S/C23H19N3O/c1-17-7-5-6-10-21(17)23(27)26(15-18-8-3-2-4-9-18)20-11-12-22-19(13-20)14-24-16-25-22/h2-14,16H,15H2,1H3
InChIKeyMTOUROPVRHMNHP-UHFFFAOYSA-N
XLogP4.79
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-methyl-N-quinazolin-6-ylbenzamide?
The IUPAC name of N-benzyl-2-methyl-N-quinazolin-6-ylbenzamide (CID 69003997) is N-benzyl-2-methyl-N-quinazolin-6-ylbenzamide.
What is the SMILES notation for N-benzyl-2-methyl-N-quinazolin-6-ylbenzamide?
The canonical SMILES for N-benzyl-2-methyl-N-quinazolin-6-ylbenzamide is Cc1ccccc1C(=O)N(Cc1ccccc1)c1ccc2ncncc2c1.
What is the InChIKey of N-benzyl-2-methyl-N-quinazolin-6-ylbenzamide?
The InChIKey is MTOUROPVRHMNHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O/c1-17-7-5-6-10-21(17)23(27)26(15-18-8-3-2-4-9-18)20-11-12-22-19(13-20)14-24-16-25-22/h2-14,16H,15H2,1H3.
What are the key properties of N-benzyl-2-methyl-N-quinazolin-6-ylbenzamide?
N-benzyl-2-methyl-N-quinazolin-6-ylbenzamide has a molecular weight of 353.43 g/mol, XLogP of 4.79, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-methyl-N-quinazolin-6-ylbenzamide is sourced from PubChem (CID 69003997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).