N-(2H-quinazolin-1-yl)benzamide

C15H13N3O — CID 118050491

IUPACN-(2H-quinazolin-1-yl)benzamide
SMILESO=C(NN1CN=Cc2ccccc21)c1ccccc1
InChIInChI=1S/C15H13N3O/c19-15(12-6-2-1-3-7-12)17-18-11-16-10-13-8-4-5-9-14(13)18/h1-10H,11H2,(H,17,19)
InChIKeyZVHUUWTXRDAOSC-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.23
Rot. Bonds2

About N-(2H-quinazolin-1-yl)benzamide

N-(2H-quinazolin-1-yl)benzamide (PubChem CID 118050491) has the molecular formula C15H13N3O and a molecular weight of 251.29 g/mol. Its IUPAC name is N-(2H-quinazolin-1-yl)benzamide.

Molecular Properties

Compound NameN-(2H-quinazolin-1-yl)benzamide
PubChem CID118050491
Molecular FormulaC15H13N3O
Molecular Weight251.29 g/mol
Exact Mass251.11
IUPAC NameN-(2H-quinazolin-1-yl)benzamide
SMILESO=C(NN1CN=Cc2ccccc21)c1ccccc1
InChIInChI=1S/C15H13N3O/c19-15(12-6-2-1-3-7-12)17-18-11-16-10-13-8-4-5-9-14(13)18/h1-10H,11H2,(H,17,19)
InChIKeyZVHUUWTXRDAOSC-UHFFFAOYSA-N
XLogP2.23
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 70142310
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N-[6-(trifluoromethyl)-2H-quinoxalin-1-yl]benzamide
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CID 144706078
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Frequently Asked Questions

What is the IUPAC name of N-(2H-quinazolin-1-yl)benzamide?
The IUPAC name of N-(2H-quinazolin-1-yl)benzamide (CID 118050491) is N-(2H-quinazolin-1-yl)benzamide.
What is the SMILES notation for N-(2H-quinazolin-1-yl)benzamide?
The canonical SMILES for N-(2H-quinazolin-1-yl)benzamide is O=C(NN1CN=Cc2ccccc21)c1ccccc1.
What is the InChIKey of N-(2H-quinazolin-1-yl)benzamide?
The InChIKey is ZVHUUWTXRDAOSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O/c19-15(12-6-2-1-3-7-12)17-18-11-16-10-13-8-4-5-9-14(13)18/h1-10H,11H2,(H,17,19).
What are the key properties of N-(2H-quinazolin-1-yl)benzamide?
N-(2H-quinazolin-1-yl)benzamide has a molecular weight of 251.29 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2H-quinazolin-1-yl)benzamide is sourced from PubChem (CID 118050491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).