7-chloro-2-[(E)-2-(4-chlorophenyl)ethenyl]-3-[2-(dimethylamino)ethyl]quinazolin-4-one

C20H19Cl2N3O — CID 11696736

IUPAC7-chloro-2-[(E)-2-(4-chlorophenyl)ethenyl]-3-[2-(dimethylamino)ethyl]quinazolin-4-one
SMILESCN(C)CCn1c(/C=C/c2ccc(Cl)cc2)nc2cc(Cl)ccc2c1=O
InChIInChI=1S/C20H19Cl2N3O/c1-24(2)11-12-25-19(10-5-14-3-6-15(21)7-4-14)23-18-13-16(22)8-9-17(18)20(25)26/h3-10,13H,11-12H2,1-2H3/b10-5+
InChIKeyYWOHDHXCZFHGCQ-BJMVGYQFSA-N
MW388.30 g/mol
LogP4.44
Rot. Bonds5

About 7-chloro-2-[(E)-2-(4-chlorophenyl)ethenyl]-3-[2-(dimethylamino)ethyl]quinazolin-4-one

7-chloro-2-[(E)-2-(4-chlorophenyl)ethenyl]-3-[2-(dimethylamino)ethyl]quinazolin-4-one (PubChem CID 11696736) has the molecular formula C20H19Cl2N3O and a molecular weight of 388.30 g/mol. Its IUPAC name is 7-chloro-2-[(E)-2-(4-chlorophenyl)ethenyl]-3-[2-(dimethylamino)ethyl]quinazolin-4-one.

Molecular Properties

Compound Name7-chloro-2-[(E)-2-(4-chlorophenyl)ethenyl]-3-[2-(dimethylamino)ethyl]quinazolin-4-one
PubChem CID11696736
Molecular FormulaC20H19Cl2N3O
Molecular Weight388.30 g/mol
Exact Mass387.09
IUPAC Name7-chloro-2-[(E)-2-(4-chlorophenyl)ethenyl]-3-[2-(dimethylamino)ethyl]quinazolin-4-one
SMILESCN(C)CCn1c(/C=C/c2ccc(Cl)cc2)nc2cc(Cl)ccc2c1=O
InChIInChI=1S/C20H19Cl2N3O/c1-24(2)11-12-25-19(10-5-14-3-6-15(21)7-4-14)23-18-13-16(22)8-9-17(18)20(25)26/h3-10,13H,11-12H2,1-2H3/b10-5+
InChIKeyYWOHDHXCZFHGCQ-BJMVGYQFSA-N
XLogP4.44
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.30
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-[(E)-2-(4-chlorophenyl)ethenyl]-3-[2-(dimethylamino)ethyl]quinazolin-4-one?
The IUPAC name of 7-chloro-2-[(E)-2-(4-chlorophenyl)ethenyl]-3-[2-(dimethylamino)ethyl]quinazolin-4-one (CID 11696736) is 7-chloro-2-[(E)-2-(4-chlorophenyl)ethenyl]-3-[2-(dimethylamino)ethyl]quinazolin-4-one.
What is the SMILES notation for 7-chloro-2-[(E)-2-(4-chlorophenyl)ethenyl]-3-[2-(dimethylamino)ethyl]quinazolin-4-one?
The canonical SMILES for 7-chloro-2-[(E)-2-(4-chlorophenyl)ethenyl]-3-[2-(dimethylamino)ethyl]quinazolin-4-one is CN(C)CCn1c(/C=C/c2ccc(Cl)cc2)nc2cc(Cl)ccc2c1=O.
What is the InChIKey of 7-chloro-2-[(E)-2-(4-chlorophenyl)ethenyl]-3-[2-(dimethylamino)ethyl]quinazolin-4-one?
The InChIKey is YWOHDHXCZFHGCQ-BJMVGYQFSA-N. The full InChI is InChI=1S/C20H19Cl2N3O/c1-24(2)11-12-25-19(10-5-14-3-6-15(21)7-4-14)23-18-13-16(22)8-9-17(18)20(25)26/h3-10,13H,11-12H2,1-2H3/b10-5+.
What are the key properties of 7-chloro-2-[(E)-2-(4-chlorophenyl)ethenyl]-3-[2-(dimethylamino)ethyl]quinazolin-4-one?
7-chloro-2-[(E)-2-(4-chlorophenyl)ethenyl]-3-[2-(dimethylamino)ethyl]quinazolin-4-one has a molecular weight of 388.30 g/mol, XLogP of 4.44, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-[(E)-2-(4-chlorophenyl)ethenyl]-3-[2-(dimethylamino)ethyl]quinazolin-4-one is sourced from PubChem (CID 11696736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).