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

C24H25N3O — CID 5084249

IUPAC2-[4-(dimethylamino)phenyl]-3-(4-ethylphenyl)-1,2-dihydroquinazolin-4-one
SMILESCCc1ccc(N2C(=O)c3ccccc3NC2c2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C24H25N3O/c1-4-17-9-13-20(14-10-17)27-23(18-11-15-19(16-12-18)26(2)3)25-22-8-6-5-7-21(22)24(27)28/h5-16,23,25H,4H2,1-3H3
InChIKeyRSOMRBYLYQCXTN-UHFFFAOYSA-N
MW371.48 g/mol
LogP5.09
Rot. Bonds4

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

2-[4-(dimethylamino)phenyl]-3-(4-ethylphenyl)-1,2-dihydroquinazolin-4-one (PubChem CID 5084249) has the molecular formula C24H25N3O and a molecular weight of 371.48 g/mol. Its IUPAC name is 2-[4-(dimethylamino)phenyl]-3-(4-ethylphenyl)-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name2-[4-(dimethylamino)phenyl]-3-(4-ethylphenyl)-1,2-dihydroquinazolin-4-one
PubChem CID5084249
Molecular FormulaC24H25N3O
Molecular Weight371.48 g/mol
Exact Mass371.20
IUPAC Name2-[4-(dimethylamino)phenyl]-3-(4-ethylphenyl)-1,2-dihydroquinazolin-4-one
SMILESCCc1ccc(N2C(=O)c3ccccc3NC2c2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C24H25N3O/c1-4-17-9-13-20(14-10-17)27-23(18-11-15-19(16-12-18)26(2)3)25-22-8-6-5-7-21(22)24(27)28/h5-16,23,25H,4H2,1-3H3
InChIKeyRSOMRBYLYQCXTN-UHFFFAOYSA-N
XLogP5.09
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.48
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylamino)phenyl]-3-(4-ethylphenyl)-1,2-dihydroquinazolin-4-one?
The IUPAC name of 2-[4-(dimethylamino)phenyl]-3-(4-ethylphenyl)-1,2-dihydroquinazolin-4-one (CID 5084249) is 2-[4-(dimethylamino)phenyl]-3-(4-ethylphenyl)-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for 2-[4-(dimethylamino)phenyl]-3-(4-ethylphenyl)-1,2-dihydroquinazolin-4-one?
The canonical SMILES for 2-[4-(dimethylamino)phenyl]-3-(4-ethylphenyl)-1,2-dihydroquinazolin-4-one is CCc1ccc(N2C(=O)c3ccccc3NC2c2ccc(N(C)C)cc2)cc1.
What is the InChIKey of 2-[4-(dimethylamino)phenyl]-3-(4-ethylphenyl)-1,2-dihydroquinazolin-4-one?
The InChIKey is RSOMRBYLYQCXTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O/c1-4-17-9-13-20(14-10-17)27-23(18-11-15-19(16-12-18)26(2)3)25-22-8-6-5-7-21(22)24(27)28/h5-16,23,25H,4H2,1-3H3.
What are the key properties of 2-[4-(dimethylamino)phenyl]-3-(4-ethylphenyl)-1,2-dihydroquinazolin-4-one?
2-[4-(dimethylamino)phenyl]-3-(4-ethylphenyl)-1,2-dihydroquinazolin-4-one has a molecular weight of 371.48 g/mol, XLogP of 5.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylamino)phenyl]-3-(4-ethylphenyl)-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 5084249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).