4-tert-butyl-N-(4-oxo-2-pyridin-2-ylquinazolin-3-yl)benzamide

C24H22N4O2 — CID 23854731

IUPAC4-tert-butyl-N-(4-oxo-2-pyridin-2-ylquinazolin-3-yl)benzamide
SMILESCC(C)(C)c1ccc(C(=O)Nn2c(-c3ccccn3)nc3ccccc3c2=O)cc1
InChIInChI=1S/C24H22N4O2/c1-24(2,3)17-13-11-16(12-14-17)22(29)27-28-21(20-10-6-7-15-25-20)26-19-9-5-4-8-18(19)23(28)30/h4-15H,1-3H3,(H,27,29)
InChIKeyWIFXHEHWEXXIMJ-UHFFFAOYSA-N
MW398.47 g/mol
LogP4.14
Rot. Bonds3

About 4-tert-butyl-N-(4-oxo-2-pyridin-2-ylquinazolin-3-yl)benzamide

4-tert-butyl-N-(4-oxo-2-pyridin-2-ylquinazolin-3-yl)benzamide (PubChem CID 23854731) has the molecular formula C24H22N4O2 and a molecular weight of 398.47 g/mol. Its IUPAC name is 4-tert-butyl-N-(4-oxo-2-pyridin-2-ylquinazolin-3-yl)benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-(4-oxo-2-pyridin-2-ylquinazolin-3-yl)benzamide
PubChem CID23854731
Molecular FormulaC24H22N4O2
Molecular Weight398.47 g/mol
Exact Mass398.17
IUPAC Name4-tert-butyl-N-(4-oxo-2-pyridin-2-ylquinazolin-3-yl)benzamide
SMILESCC(C)(C)c1ccc(C(=O)Nn2c(-c3ccccn3)nc3ccccc3c2=O)cc1
InChIInChI=1S/C24H22N4O2/c1-24(2,3)17-13-11-16(12-14-17)22(29)27-28-21(20-10-6-7-15-25-20)26-19-9-5-4-8-18(19)23(28)30/h4-15H,1-3H3,(H,27,29)
InChIKeyWIFXHEHWEXXIMJ-UHFFFAOYSA-N
XLogP4.14
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(4-oxo-2-pyridin-2-ylquinazolin-3-yl)benzamide?
The IUPAC name of 4-tert-butyl-N-(4-oxo-2-pyridin-2-ylquinazolin-3-yl)benzamide (CID 23854731) is 4-tert-butyl-N-(4-oxo-2-pyridin-2-ylquinazolin-3-yl)benzamide.
What is the SMILES notation for 4-tert-butyl-N-(4-oxo-2-pyridin-2-ylquinazolin-3-yl)benzamide?
The canonical SMILES for 4-tert-butyl-N-(4-oxo-2-pyridin-2-ylquinazolin-3-yl)benzamide is CC(C)(C)c1ccc(C(=O)Nn2c(-c3ccccn3)nc3ccccc3c2=O)cc1.
What is the InChIKey of 4-tert-butyl-N-(4-oxo-2-pyridin-2-ylquinazolin-3-yl)benzamide?
The InChIKey is WIFXHEHWEXXIMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O2/c1-24(2,3)17-13-11-16(12-14-17)22(29)27-28-21(20-10-6-7-15-25-20)26-19-9-5-4-8-18(19)23(28)30/h4-15H,1-3H3,(H,27,29).
What are the key properties of 4-tert-butyl-N-(4-oxo-2-pyridin-2-ylquinazolin-3-yl)benzamide?
4-tert-butyl-N-(4-oxo-2-pyridin-2-ylquinazolin-3-yl)benzamide has a molecular weight of 398.47 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(4-oxo-2-pyridin-2-ylquinazolin-3-yl)benzamide is sourced from PubChem (CID 23854731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).