(2S)-2,3-bis(4-methylphenyl)-1,2-dihydroquinazolin-4-one

C22H20N2O — CID 805625

IUPAC(2S)-2,3-bis(4-methylphenyl)-1,2-dihydroquinazolin-4-one
SMILESCc1ccc([C@H]2Nc3ccccc3C(=O)N2c2ccc(C)cc2)cc1
InChIInChI=1S/C22H20N2O/c1-15-7-11-17(12-8-15)21-23-20-6-4-3-5-19(20)22(25)24(21)18-13-9-16(2)10-14-18/h3-14,21,23H,1-2H3/t21-/m0/s1
InChIKeySCTYKXUVFITDHQ-NRFANRHFSA-N
MW328.42 g/mol
LogP5.07
Rot. Bonds2

About (2S)-2,3-bis(4-methylphenyl)-1,2-dihydroquinazolin-4-one

(2S)-2,3-bis(4-methylphenyl)-1,2-dihydroquinazolin-4-one (PubChem CID 805625) has the molecular formula C22H20N2O and a molecular weight of 328.42 g/mol. Its IUPAC name is (2S)-2,3-bis(4-methylphenyl)-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name(2S)-2,3-bis(4-methylphenyl)-1,2-dihydroquinazolin-4-one
PubChem CID805625
Molecular FormulaC22H20N2O
Molecular Weight328.42 g/mol
Exact Mass328.16
IUPAC Name(2S)-2,3-bis(4-methylphenyl)-1,2-dihydroquinazolin-4-one
SMILESCc1ccc([C@H]2Nc3ccccc3C(=O)N2c2ccc(C)cc2)cc1
InChIInChI=1S/C22H20N2O/c1-15-7-11-17(12-8-15)21-23-20-6-4-3-5-19(20)22(25)24(21)18-13-9-16(2)10-14-18/h3-14,21,23H,1-2H3/t21-/m0/s1
InChIKeySCTYKXUVFITDHQ-NRFANRHFSA-N
XLogP5.07
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.42
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-methylphenyl)-2-phenyl-1,2-dihydroquinazolin-4-one
CID 3112058
(2S)-3-(4-methylphenyl)-2-phenyl-1,2-dihydroquinazolin-4-one
CID 7331947
(2S)-2-(4-fluorophenyl)-3-(4-methylphenyl)-1,2-dihydroquinazolin-4-one
CID 712104
2-[4-(dimethylamino)phenyl]-3-(4-methylphenyl)-1,2-dihydroquinazolin-4-one
CID 23323162
3-(4-ethoxyphenyl)-2-(4-methylphenyl)-1,2-dihydroquinazolin-4-one
CID 2853469
(2S)-3-(4-methylphenyl)-2-(4-morpholin-4-ylphenyl)-1,2-dihydroquinazolin-4-one
CID 25363719
(2R)-2-(3,4-dihydroxyphenyl)-3-(4-methylphenyl)-1,2-dihydroquinazolin-4-one
CID 9007397
3-(4-methylphenyl)-2-(2,3,4,5,6-pentafluorophenyl)-1,2-dihydroquinazolin-4-one
CID 2888286
2-(1,3-benzodioxol-5-yl)-3-(4-methylphenyl)-1,2-dihydroquinazolin-4-one
CID 3115659
(2S)-2-(4-tert-butylphenyl)-3-phenyl-1,2-dihydroquinazolin-4-one
CID 7659372
(2R)-2-(5-methylfuran-2-yl)-3-(4-methylphenyl)-1,2-dihydroquinazolin-4-one
CID 2094035
2-(4-bromophenyl)-3-(3,5-dimethylphenyl)-1,2-dihydroquinazolin-4-one
CID 3452020

Frequently Asked Questions

What is the IUPAC name of (2S)-2,3-bis(4-methylphenyl)-1,2-dihydroquinazolin-4-one?
The IUPAC name of (2S)-2,3-bis(4-methylphenyl)-1,2-dihydroquinazolin-4-one (CID 805625) is (2S)-2,3-bis(4-methylphenyl)-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for (2S)-2,3-bis(4-methylphenyl)-1,2-dihydroquinazolin-4-one?
The canonical SMILES for (2S)-2,3-bis(4-methylphenyl)-1,2-dihydroquinazolin-4-one is Cc1ccc([C@H]2Nc3ccccc3C(=O)N2c2ccc(C)cc2)cc1.
What is the InChIKey of (2S)-2,3-bis(4-methylphenyl)-1,2-dihydroquinazolin-4-one?
The InChIKey is SCTYKXUVFITDHQ-NRFANRHFSA-N. The full InChI is InChI=1S/C22H20N2O/c1-15-7-11-17(12-8-15)21-23-20-6-4-3-5-19(20)22(25)24(21)18-13-9-16(2)10-14-18/h3-14,21,23H,1-2H3/t21-/m0/s1.
What are the key properties of (2S)-2,3-bis(4-methylphenyl)-1,2-dihydroquinazolin-4-one?
(2S)-2,3-bis(4-methylphenyl)-1,2-dihydroquinazolin-4-one has a molecular weight of 328.42 g/mol, XLogP of 5.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2,3-bis(4-methylphenyl)-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 805625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).