(2S)-2-(4-tert-butylphenyl)-3-phenyl-1,2-dihydroquinazolin-4-one

C24H24N2O — CID 7659372

IUPAC(2S)-2-(4-tert-butylphenyl)-3-phenyl-1,2-dihydroquinazolin-4-one
SMILESCC(C)(C)c1ccc([C@H]2Nc3ccccc3C(=O)N2c2ccccc2)cc1
InChIInChI=1S/C24H24N2O/c1-24(2,3)18-15-13-17(14-16-18)22-25-21-12-8-7-11-20(21)23(27)26(22)19-9-5-4-6-10-19/h4-16,22,25H,1-3H3/t22-/m0/s1
InChIKeyLIUWRPDWBOKYEL-QFIPXVFZSA-N
MW356.47 g/mol
LogP5.76
Rot. Bonds2

About (2S)-2-(4-tert-butylphenyl)-3-phenyl-1,2-dihydroquinazolin-4-one

(2S)-2-(4-tert-butylphenyl)-3-phenyl-1,2-dihydroquinazolin-4-one (PubChem CID 7659372) has the molecular formula C24H24N2O and a molecular weight of 356.47 g/mol. Its IUPAC name is (2S)-2-(4-tert-butylphenyl)-3-phenyl-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name(2S)-2-(4-tert-butylphenyl)-3-phenyl-1,2-dihydroquinazolin-4-one
PubChem CID7659372
Molecular FormulaC24H24N2O
Molecular Weight356.47 g/mol
Exact Mass356.19
IUPAC Name(2S)-2-(4-tert-butylphenyl)-3-phenyl-1,2-dihydroquinazolin-4-one
SMILESCC(C)(C)c1ccc([C@H]2Nc3ccccc3C(=O)N2c2ccccc2)cc1
InChIInChI=1S/C24H24N2O/c1-24(2,3)18-15-13-17(14-16-18)22-25-21-12-8-7-11-20(21)23(27)26(22)19-9-5-4-6-10-19/h4-16,22,25H,1-3H3/t22-/m0/s1
InChIKeyLIUWRPDWBOKYEL-QFIPXVFZSA-N
XLogP5.76
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.47
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-tert-butylphenyl)-3-phenyl-1,2-dihydroquinazolin-4-one?
The IUPAC name of (2S)-2-(4-tert-butylphenyl)-3-phenyl-1,2-dihydroquinazolin-4-one (CID 7659372) is (2S)-2-(4-tert-butylphenyl)-3-phenyl-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for (2S)-2-(4-tert-butylphenyl)-3-phenyl-1,2-dihydroquinazolin-4-one?
The canonical SMILES for (2S)-2-(4-tert-butylphenyl)-3-phenyl-1,2-dihydroquinazolin-4-one is CC(C)(C)c1ccc([C@H]2Nc3ccccc3C(=O)N2c2ccccc2)cc1.
What is the InChIKey of (2S)-2-(4-tert-butylphenyl)-3-phenyl-1,2-dihydroquinazolin-4-one?
The InChIKey is LIUWRPDWBOKYEL-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H24N2O/c1-24(2,3)18-15-13-17(14-16-18)22-25-21-12-8-7-11-20(21)23(27)26(22)19-9-5-4-6-10-19/h4-16,22,25H,1-3H3/t22-/m0/s1.
What are the key properties of (2S)-2-(4-tert-butylphenyl)-3-phenyl-1,2-dihydroquinazolin-4-one?
(2S)-2-(4-tert-butylphenyl)-3-phenyl-1,2-dihydroquinazolin-4-one has a molecular weight of 356.47 g/mol, XLogP of 5.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-tert-butylphenyl)-3-phenyl-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 7659372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).