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

C24H20ClN3O — CID 2902132

IUPAC3-(2-chlorophenyl)-2-[2-[4-(dimethylamino)phenyl]ethenyl]quinazolin-4-one
SMILESCN(C)c1ccc(C=Cc2nc3ccccc3c(=O)n2-c2ccccc2Cl)cc1
InChIInChI=1S/C24H20ClN3O/c1-27(2)18-14-11-17(12-15-18)13-16-23-26-21-9-5-3-7-19(21)24(29)28(23)22-10-6-4-8-20(22)25/h3-16H,1-2H3
InChIKeySLPAIKVYOBQNBI-UHFFFAOYSA-N
MW401.90 g/mol
LogP5.28
Rot. Bonds4

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

3-(2-chlorophenyl)-2-[2-[4-(dimethylamino)phenyl]ethenyl]quinazolin-4-one (PubChem CID 2902132) has the molecular formula C24H20ClN3O and a molecular weight of 401.90 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-2-[2-[4-(dimethylamino)phenyl]ethenyl]quinazolin-4-one.

Molecular Properties

Compound Name3-(2-chlorophenyl)-2-[2-[4-(dimethylamino)phenyl]ethenyl]quinazolin-4-one
PubChem CID2902132
Molecular FormulaC24H20ClN3O
Molecular Weight401.90 g/mol
Exact Mass401.13
IUPAC Name3-(2-chlorophenyl)-2-[2-[4-(dimethylamino)phenyl]ethenyl]quinazolin-4-one
SMILESCN(C)c1ccc(C=Cc2nc3ccccc3c(=O)n2-c2ccccc2Cl)cc1
InChIInChI=1S/C24H20ClN3O/c1-27(2)18-14-11-17(12-15-18)13-16-23-26-21-9-5-3-7-19(21)24(29)28(23)22-10-6-4-8-20(22)25/h3-16H,1-2H3
InChIKeySLPAIKVYOBQNBI-UHFFFAOYSA-N
XLogP5.28
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.90
LogP ≤ 55.28
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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Related Compounds

3-(2,6-dichlorophenyl)-2-[(Z)-2-[4-(dimethylamino)phenyl]ethenyl]quinazolin-4-one
CID 11841509
2-[2-[4-(dimethylamino)phenyl]ethenyl]-3-(2-nitrophenyl)quinazolin-4-one
CID 2876177
3-(2-chlorophenyl)-2-[2-(2,4-dichlorophenyl)ethenyl]quinazolin-4-one
CID 3843780
3-(2,6-dichlorophenyl)-2-[2-(4-hydroxyphenyl)ethenyl]quinazolin-4-one
CID 5168342
2-[(Z)-2-(2-chlorophenyl)ethenyl]-3-(2-hydroxyphenyl)quinazolin-4-one
CID 7334822
3-(2,6-dichlorophenyl)-2-[2-(4-propan-2-ylphenyl)ethenyl]quinazolin-4-one
CID 3837276
2-[2-[4-(dimethylamino)phenyl]ethenyl]-6-iodo-3-(2-methoxyphenyl)quinazolin-4-one
CID 4551242
2-[(E)-2-(4-bromophenyl)ethenyl]-3-(2-hydroxyphenyl)quinazolin-4-one
CID 6306933
3-(4-chloro-2-methylphenyl)-2-[(E)-2-phenylethenyl]quinazolin-4-one
CID 20966750
2-[(Z)-2-(2-chlorophenyl)ethenyl]-3-(2-methoxyphenyl)quinazolin-4-one
CID 7334797
N,N-dimethyl-4-[2-(1-phenylbenzimidazol-2-yl)ethenyl]aniline
CID 3304357
3-(2-chlorophenyl)-2-[(E)-2-[6-(ethoxymethyl)-2-pyridinyl]ethenyl]quinazolin-4-one
CID 142644221

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-2-[2-[4-(dimethylamino)phenyl]ethenyl]quinazolin-4-one?
The IUPAC name of 3-(2-chlorophenyl)-2-[2-[4-(dimethylamino)phenyl]ethenyl]quinazolin-4-one (CID 2902132) is 3-(2-chlorophenyl)-2-[2-[4-(dimethylamino)phenyl]ethenyl]quinazolin-4-one.
What is the SMILES notation for 3-(2-chlorophenyl)-2-[2-[4-(dimethylamino)phenyl]ethenyl]quinazolin-4-one?
The canonical SMILES for 3-(2-chlorophenyl)-2-[2-[4-(dimethylamino)phenyl]ethenyl]quinazolin-4-one is CN(C)c1ccc(C=Cc2nc3ccccc3c(=O)n2-c2ccccc2Cl)cc1.
What is the InChIKey of 3-(2-chlorophenyl)-2-[2-[4-(dimethylamino)phenyl]ethenyl]quinazolin-4-one?
The InChIKey is SLPAIKVYOBQNBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClN3O/c1-27(2)18-14-11-17(12-15-18)13-16-23-26-21-9-5-3-7-19(21)24(29)28(23)22-10-6-4-8-20(22)25/h3-16H,1-2H3.
What are the key properties of 3-(2-chlorophenyl)-2-[2-[4-(dimethylamino)phenyl]ethenyl]quinazolin-4-one?
3-(2-chlorophenyl)-2-[2-[4-(dimethylamino)phenyl]ethenyl]quinazolin-4-one has a molecular weight of 401.90 g/mol, XLogP of 5.28, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-2-[2-[4-(dimethylamino)phenyl]ethenyl]quinazolin-4-one is sourced from PubChem (CID 2902132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).