2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-3-(2-methylphenyl)quinazolin-4-one

C25H23N3O — CID 5343298

IUPAC2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-3-(2-methylphenyl)quinazolin-4-one
SMILESCc1ccccc1-n1c(/C=C/c2ccc(N(C)C)cc2)nc2ccccc2c1=O
InChIInChI=1S/C25H23N3O/c1-18-8-4-7-11-23(18)28-24(26-22-10-6-5-9-21(22)25(28)29)17-14-19-12-15-20(16-13-19)27(2)3/h4-17H,1-3H3/b17-14+
InChIKeyYJFKGWIBBMGMJW-SAPNQHFASA-N
MW381.48 g/mol
LogP4.93
Rot. Bonds4

About 2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-3-(2-methylphenyl)quinazolin-4-one

2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-3-(2-methylphenyl)quinazolin-4-one (PubChem CID 5343298) has the molecular formula C25H23N3O and a molecular weight of 381.48 g/mol. Its IUPAC name is 2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-3-(2-methylphenyl)quinazolin-4-one.

Molecular Properties

Compound Name2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-3-(2-methylphenyl)quinazolin-4-one
PubChem CID5343298
Molecular FormulaC25H23N3O
Molecular Weight381.48 g/mol
Exact Mass381.18
IUPAC Name2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-3-(2-methylphenyl)quinazolin-4-one
SMILESCc1ccccc1-n1c(/C=C/c2ccc(N(C)C)cc2)nc2ccccc2c1=O
InChIInChI=1S/C25H23N3O/c1-18-8-4-7-11-23(18)28-24(26-22-10-6-5-9-21(22)25(28)29)17-14-19-12-15-20(16-13-19)27(2)3/h4-17H,1-3H3/b17-14+
InChIKeyYJFKGWIBBMGMJW-SAPNQHFASA-N
XLogP4.93
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-3-(2-methylphenyl)quinazolin-4-one?
The IUPAC name of 2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-3-(2-methylphenyl)quinazolin-4-one (CID 5343298) is 2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-3-(2-methylphenyl)quinazolin-4-one.
What is the SMILES notation for 2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-3-(2-methylphenyl)quinazolin-4-one?
The canonical SMILES for 2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-3-(2-methylphenyl)quinazolin-4-one is Cc1ccccc1-n1c(/C=C/c2ccc(N(C)C)cc2)nc2ccccc2c1=O.
What is the InChIKey of 2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-3-(2-methylphenyl)quinazolin-4-one?
The InChIKey is YJFKGWIBBMGMJW-SAPNQHFASA-N. The full InChI is InChI=1S/C25H23N3O/c1-18-8-4-7-11-23(18)28-24(26-22-10-6-5-9-21(22)25(28)29)17-14-19-12-15-20(16-13-19)27(2)3/h4-17H,1-3H3/b17-14+.
What are the key properties of 2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-3-(2-methylphenyl)quinazolin-4-one?
2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-3-(2-methylphenyl)quinazolin-4-one has a molecular weight of 381.48 g/mol, XLogP of 4.93, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-3-(2-methylphenyl)quinazolin-4-one is sourced from PubChem (CID 5343298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).