3-(2-aminoquinazolin-6-yl)-1-(4-tert-butylphenyl)-4-methylpyridin-2-one

C24H24N4O — CID 24879307

IUPAC3-(2-aminoquinazolin-6-yl)-1-(4-tert-butylphenyl)-4-methylpyridin-2-one
SMILESCc1ccn(-c2ccc(C(C)(C)C)cc2)c(=O)c1-c1ccc2nc(N)ncc2c1
InChIInChI=1S/C24H24N4O/c1-15-11-12-28(19-8-6-18(7-9-19)24(2,3)4)22(29)21(15)16-5-10-20-17(13-16)14-26-23(25)27-20/h5-14H,1-4H3,(H2,25,26,27)
InChIKeyOLGFKJJJBLWTNP-UHFFFAOYSA-N
MW384.48 g/mol
LogP4.64
Rot. Bonds2

About 3-(2-aminoquinazolin-6-yl)-1-(4-tert-butylphenyl)-4-methylpyridin-2-one

3-(2-aminoquinazolin-6-yl)-1-(4-tert-butylphenyl)-4-methylpyridin-2-one (PubChem CID 24879307) has the molecular formula C24H24N4O and a molecular weight of 384.48 g/mol. Its IUPAC name is 3-(2-aminoquinazolin-6-yl)-1-(4-tert-butylphenyl)-4-methylpyridin-2-one.

Molecular Properties

Compound Name3-(2-aminoquinazolin-6-yl)-1-(4-tert-butylphenyl)-4-methylpyridin-2-one
PubChem CID24879307
Molecular FormulaC24H24N4O
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Name3-(2-aminoquinazolin-6-yl)-1-(4-tert-butylphenyl)-4-methylpyridin-2-one
SMILESCc1ccn(-c2ccc(C(C)(C)C)cc2)c(=O)c1-c1ccc2nc(N)ncc2c1
InChIInChI=1S/C24H24N4O/c1-15-11-12-28(19-8-6-18(7-9-19)24(2,3)4)22(29)21(15)16-5-10-20-17(13-16)14-26-23(25)27-20/h5-14H,1-4H3,(H2,25,26,27)
InChIKeyOLGFKJJJBLWTNP-UHFFFAOYSA-N
XLogP4.64
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoquinazolin-6-yl)-1-(4-tert-butylphenyl)-4-methylpyridin-2-one?
The IUPAC name of 3-(2-aminoquinazolin-6-yl)-1-(4-tert-butylphenyl)-4-methylpyridin-2-one (CID 24879307) is 3-(2-aminoquinazolin-6-yl)-1-(4-tert-butylphenyl)-4-methylpyridin-2-one.
What is the SMILES notation for 3-(2-aminoquinazolin-6-yl)-1-(4-tert-butylphenyl)-4-methylpyridin-2-one?
The canonical SMILES for 3-(2-aminoquinazolin-6-yl)-1-(4-tert-butylphenyl)-4-methylpyridin-2-one is Cc1ccn(-c2ccc(C(C)(C)C)cc2)c(=O)c1-c1ccc2nc(N)ncc2c1.
What is the InChIKey of 3-(2-aminoquinazolin-6-yl)-1-(4-tert-butylphenyl)-4-methylpyridin-2-one?
The InChIKey is OLGFKJJJBLWTNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O/c1-15-11-12-28(19-8-6-18(7-9-19)24(2,3)4)22(29)21(15)16-5-10-20-17(13-16)14-26-23(25)27-20/h5-14H,1-4H3,(H2,25,26,27).
What are the key properties of 3-(2-aminoquinazolin-6-yl)-1-(4-tert-butylphenyl)-4-methylpyridin-2-one?
3-(2-aminoquinazolin-6-yl)-1-(4-tert-butylphenyl)-4-methylpyridin-2-one has a molecular weight of 384.48 g/mol, XLogP of 4.64, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoquinazolin-6-yl)-1-(4-tert-butylphenyl)-4-methylpyridin-2-one is sourced from PubChem (CID 24879307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).