5-(2-amino-4-oxo-3-phenylquinazolin-6-yl)pyridine-3-carbonitrile

C20H13N5O — CID 67982930

IUPAC5-(2-amino-4-oxo-3-phenylquinazolin-6-yl)pyridine-3-carbonitrile
SMILESN#Cc1cncc(-c2ccc3nc(N)n(-c4ccccc4)c(=O)c3c2)c1
InChIInChI=1S/C20H13N5O/c21-10-13-8-15(12-23-11-13)14-6-7-18-17(9-14)19(26)25(20(22)24-18)16-4-2-1-3-5-16/h1-9,11-12H,(H2,22,24)
InChIKeyOPGFRIBQJXDESB-UHFFFAOYSA-N
MW339.36 g/mol
LogP2.90
Rot. Bonds2

About 5-(2-amino-4-oxo-3-phenylquinazolin-6-yl)pyridine-3-carbonitrile

5-(2-amino-4-oxo-3-phenylquinazolin-6-yl)pyridine-3-carbonitrile (PubChem CID 67982930) has the molecular formula C20H13N5O and a molecular weight of 339.36 g/mol. Its IUPAC name is 5-(2-amino-4-oxo-3-phenylquinazolin-6-yl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-(2-amino-4-oxo-3-phenylquinazolin-6-yl)pyridine-3-carbonitrile
PubChem CID67982930
Molecular FormulaC20H13N5O
Molecular Weight339.36 g/mol
Exact Mass339.11
IUPAC Name5-(2-amino-4-oxo-3-phenylquinazolin-6-yl)pyridine-3-carbonitrile
SMILESN#Cc1cncc(-c2ccc3nc(N)n(-c4ccccc4)c(=O)c3c2)c1
InChIInChI=1S/C20H13N5O/c21-10-13-8-15(12-23-11-13)14-6-7-18-17(9-14)19(26)25(20(22)24-18)16-4-2-1-3-5-16/h1-9,11-12H,(H2,22,24)
InChIKeyOPGFRIBQJXDESB-UHFFFAOYSA-N
XLogP2.90
TPSA97.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.36
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(2-amino-4-oxo-3-phenylquinazolin-6-yl)pyridine-3-carbonitrile?
The IUPAC name of 5-(2-amino-4-oxo-3-phenylquinazolin-6-yl)pyridine-3-carbonitrile (CID 67982930) is 5-(2-amino-4-oxo-3-phenylquinazolin-6-yl)pyridine-3-carbonitrile.
What is the SMILES notation for 5-(2-amino-4-oxo-3-phenylquinazolin-6-yl)pyridine-3-carbonitrile?
The canonical SMILES for 5-(2-amino-4-oxo-3-phenylquinazolin-6-yl)pyridine-3-carbonitrile is N#Cc1cncc(-c2ccc3nc(N)n(-c4ccccc4)c(=O)c3c2)c1.
What is the InChIKey of 5-(2-amino-4-oxo-3-phenylquinazolin-6-yl)pyridine-3-carbonitrile?
The InChIKey is OPGFRIBQJXDESB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13N5O/c21-10-13-8-15(12-23-11-13)14-6-7-18-17(9-14)19(26)25(20(22)24-18)16-4-2-1-3-5-16/h1-9,11-12H,(H2,22,24).
What are the key properties of 5-(2-amino-4-oxo-3-phenylquinazolin-6-yl)pyridine-3-carbonitrile?
5-(2-amino-4-oxo-3-phenylquinazolin-6-yl)pyridine-3-carbonitrile has a molecular weight of 339.36 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-amino-4-oxo-3-phenylquinazolin-6-yl)pyridine-3-carbonitrile is sourced from PubChem (CID 67982930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).