(2S)-2-[4-(dimethylamino)phenyl]-3-(3-methylphenyl)-1,2-dihydroquinazolin-4-one

C23H23N3O — CID 1009074

IUPAC(2S)-2-[4-(dimethylamino)phenyl]-3-(3-methylphenyl)-1,2-dihydroquinazolin-4-one
SMILESCc1cccc(N2C(=O)c3ccccc3N[C@@H]2c2ccc(N(C)C)cc2)c1
InChIInChI=1S/C23H23N3O/c1-16-7-6-8-19(15-16)26-22(17-11-13-18(14-12-17)25(2)3)24-21-10-5-4-9-20(21)23(26)27/h4-15,22,24H,1-3H3/t22-/m0/s1
InChIKeyAKXCXPAUHXSXNC-QFIPXVFZSA-N
MW357.46 g/mol
LogP4.83
Rot. Bonds3

About (2S)-2-[4-(dimethylamino)phenyl]-3-(3-methylphenyl)-1,2-dihydroquinazolin-4-one

(2S)-2-[4-(dimethylamino)phenyl]-3-(3-methylphenyl)-1,2-dihydroquinazolin-4-one (PubChem CID 1009074) has the molecular formula C23H23N3O and a molecular weight of 357.46 g/mol. Its IUPAC name is (2S)-2-[4-(dimethylamino)phenyl]-3-(3-methylphenyl)-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name(2S)-2-[4-(dimethylamino)phenyl]-3-(3-methylphenyl)-1,2-dihydroquinazolin-4-one
PubChem CID1009074
Molecular FormulaC23H23N3O
Molecular Weight357.46 g/mol
Exact Mass357.18
IUPAC Name(2S)-2-[4-(dimethylamino)phenyl]-3-(3-methylphenyl)-1,2-dihydroquinazolin-4-one
SMILESCc1cccc(N2C(=O)c3ccccc3N[C@@H]2c2ccc(N(C)C)cc2)c1
InChIInChI=1S/C23H23N3O/c1-16-7-6-8-19(15-16)26-22(17-11-13-18(14-12-17)25(2)3)24-21-10-5-4-9-20(21)23(26)27/h4-15,22,24H,1-3H3/t22-/m0/s1
InChIKeyAKXCXPAUHXSXNC-QFIPXVFZSA-N
XLogP4.83
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(dimethylamino)phenyl]-3-(4-methylphenyl)-1,2-dihydroquinazolin-4-one
CID 23323162
(2S)-3-(1,3-benzodioxol-5-yl)-2-[4-(dimethylamino)phenyl]-1,2-dihydroquinazolin-4-one
CID 9007625
2-[4-(dimethylamino)phenyl]-3-(4-ethylphenyl)-1,2-dihydroquinazolin-4-one
CID 5084249
(2R)-3-(3-methylphenyl)-2-(3,4,5-trimethoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 7027466
(2S)-2,3-bis(4-methylphenyl)-1,2-dihydroquinazolin-4-one
CID 805625
(2S)-2-(2-bromophenyl)-3-(3-methylphenyl)-1,2-dihydroquinazolin-4-one
CID 1009305
(2R)-2-(4-chlorophenyl)-3-(3,5-dimethylphenyl)-1,2-dihydroquinazolin-4-one
CID 1035984
2-(4-bromophenyl)-3-(3,5-dimethylphenyl)-1,2-dihydroquinazolin-4-one
CID 3452020
3-(3,5-dimethylphenyl)-2-(4-ethylphenyl)-1,2-dihydroquinazolin-4-one
CID 23736105
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
2-[4-(dimethylamino)phenyl]-3-ethyl-1,2-dihydroquinazolin-4-one
CID 54778083

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4-(dimethylamino)phenyl]-3-(3-methylphenyl)-1,2-dihydroquinazolin-4-one?
The IUPAC name of (2S)-2-[4-(dimethylamino)phenyl]-3-(3-methylphenyl)-1,2-dihydroquinazolin-4-one (CID 1009074) is (2S)-2-[4-(dimethylamino)phenyl]-3-(3-methylphenyl)-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for (2S)-2-[4-(dimethylamino)phenyl]-3-(3-methylphenyl)-1,2-dihydroquinazolin-4-one?
The canonical SMILES for (2S)-2-[4-(dimethylamino)phenyl]-3-(3-methylphenyl)-1,2-dihydroquinazolin-4-one is Cc1cccc(N2C(=O)c3ccccc3N[C@@H]2c2ccc(N(C)C)cc2)c1.
What is the InChIKey of (2S)-2-[4-(dimethylamino)phenyl]-3-(3-methylphenyl)-1,2-dihydroquinazolin-4-one?
The InChIKey is AKXCXPAUHXSXNC-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H23N3O/c1-16-7-6-8-19(15-16)26-22(17-11-13-18(14-12-17)25(2)3)24-21-10-5-4-9-20(21)23(26)27/h4-15,22,24H,1-3H3/t22-/m0/s1.
What are the key properties of (2S)-2-[4-(dimethylamino)phenyl]-3-(3-methylphenyl)-1,2-dihydroquinazolin-4-one?
(2S)-2-[4-(dimethylamino)phenyl]-3-(3-methylphenyl)-1,2-dihydroquinazolin-4-one has a molecular weight of 357.46 g/mol, XLogP of 4.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4-(dimethylamino)phenyl]-3-(3-methylphenyl)-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 1009074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).