2-(2,4-dichlorophenyl)-3-(3-imidazol-1-ylpropyl)quinazolin-4-one

C20H16Cl2N4O — CID 1419600

IUPAC2-(2,4-dichlorophenyl)-3-(3-imidazol-1-ylpropyl)quinazolin-4-one
SMILESO=c1c2ccccc2nc(-c2ccc(Cl)cc2Cl)n1CCCn1ccnc1
InChIInChI=1S/C20H16Cl2N4O/c21-14-6-7-15(17(22)12-14)19-24-18-5-2-1-4-16(18)20(27)26(19)10-3-9-25-11-8-23-13-25/h1-2,4-8,11-13H,3,9-10H2
InChIKeyMUDPGMWUQBQPRT-UHFFFAOYSA-N
MW399.28 g/mol
LogP4.66
Rot. Bonds5

About 2-(2,4-dichlorophenyl)-3-(3-imidazol-1-ylpropyl)quinazolin-4-one

2-(2,4-dichlorophenyl)-3-(3-imidazol-1-ylpropyl)quinazolin-4-one (PubChem CID 1419600) has the molecular formula C20H16Cl2N4O and a molecular weight of 399.28 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-3-(3-imidazol-1-ylpropyl)quinazolin-4-one.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-3-(3-imidazol-1-ylpropyl)quinazolin-4-one
PubChem CID1419600
Molecular FormulaC20H16Cl2N4O
Molecular Weight399.28 g/mol
Exact Mass398.07
IUPAC Name2-(2,4-dichlorophenyl)-3-(3-imidazol-1-ylpropyl)quinazolin-4-one
SMILESO=c1c2ccccc2nc(-c2ccc(Cl)cc2Cl)n1CCCn1ccnc1
InChIInChI=1S/C20H16Cl2N4O/c21-14-6-7-15(17(22)12-14)19-24-18-5-2-1-4-16(18)20(27)26(19)10-3-9-25-11-8-23-13-25/h1-2,4-8,11-13H,3,9-10H2
InChIKeyMUDPGMWUQBQPRT-UHFFFAOYSA-N
XLogP4.66
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.28
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-3-(3-imidazol-1-ylpropyl)quinazolin-4-one?
The IUPAC name of 2-(2,4-dichlorophenyl)-3-(3-imidazol-1-ylpropyl)quinazolin-4-one (CID 1419600) is 2-(2,4-dichlorophenyl)-3-(3-imidazol-1-ylpropyl)quinazolin-4-one.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-3-(3-imidazol-1-ylpropyl)quinazolin-4-one?
The canonical SMILES for 2-(2,4-dichlorophenyl)-3-(3-imidazol-1-ylpropyl)quinazolin-4-one is O=c1c2ccccc2nc(-c2ccc(Cl)cc2Cl)n1CCCn1ccnc1.
What is the InChIKey of 2-(2,4-dichlorophenyl)-3-(3-imidazol-1-ylpropyl)quinazolin-4-one?
The InChIKey is MUDPGMWUQBQPRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16Cl2N4O/c21-14-6-7-15(17(22)12-14)19-24-18-5-2-1-4-16(18)20(27)26(19)10-3-9-25-11-8-23-13-25/h1-2,4-8,11-13H,3,9-10H2.
What are the key properties of 2-(2,4-dichlorophenyl)-3-(3-imidazol-1-ylpropyl)quinazolin-4-one?
2-(2,4-dichlorophenyl)-3-(3-imidazol-1-ylpropyl)quinazolin-4-one has a molecular weight of 399.28 g/mol, XLogP of 4.66, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-3-(3-imidazol-1-ylpropyl)quinazolin-4-one is sourced from PubChem (CID 1419600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).