4-phenylquinazoline-2-carboxamide

C15H11N3O — CID 14528191

IUPAC4-phenylquinazoline-2-carboxamide
SMILESNC(=O)c1nc(-c2ccccc2)c2ccccc2n1
InChIInChI=1S/C15H11N3O/c16-14(19)15-17-12-9-5-4-8-11(12)13(18-15)10-6-2-1-3-7-10/h1-9H,(H2,16,19)
InChIKeyPDKNBUMUPUNVGT-UHFFFAOYSA-N
MW249.27 g/mol
LogP2.40
Rot. Bonds2

About 4-phenylquinazoline-2-carboxamide

4-phenylquinazoline-2-carboxamide (PubChem CID 14528191) has the molecular formula C15H11N3O and a molecular weight of 249.27 g/mol. Its IUPAC name is 4-phenylquinazoline-2-carboxamide.

Molecular Properties

Compound Name4-phenylquinazoline-2-carboxamide
PubChem CID14528191
Molecular FormulaC15H11N3O
Molecular Weight249.27 g/mol
Exact Mass249.09
IUPAC Name4-phenylquinazoline-2-carboxamide
SMILESNC(=O)c1nc(-c2ccccc2)c2ccccc2n1
InChIInChI=1S/C15H11N3O/c16-14(19)15-17-12-9-5-4-8-11(12)13(18-15)10-6-2-1-3-7-10/h1-9H,(H2,16,19)
InChIKeyPDKNBUMUPUNVGT-UHFFFAOYSA-N
XLogP2.40
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-phenylquinazoline-2-carboxamide?
The IUPAC name of 4-phenylquinazoline-2-carboxamide (CID 14528191) is 4-phenylquinazoline-2-carboxamide.
What is the SMILES notation for 4-phenylquinazoline-2-carboxamide?
The canonical SMILES for 4-phenylquinazoline-2-carboxamide is NC(=O)c1nc(-c2ccccc2)c2ccccc2n1.
What is the InChIKey of 4-phenylquinazoline-2-carboxamide?
The InChIKey is PDKNBUMUPUNVGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O/c16-14(19)15-17-12-9-5-4-8-11(12)13(18-15)10-6-2-1-3-7-10/h1-9H,(H2,16,19).
What are the key properties of 4-phenylquinazoline-2-carboxamide?
4-phenylquinazoline-2-carboxamide has a molecular weight of 249.27 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenylquinazoline-2-carboxamide is sourced from PubChem (CID 14528191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).