7-(3-chlorophenyl)-2-(4-phenylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one

C24H23ClN4O — CID 665827

IUPAC7-(3-chlorophenyl)-2-(4-phenylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one
SMILESO=C1CC(c2cccc(Cl)c2)Cc2nc(N3CCN(c4ccccc4)CC3)ncc21
InChIInChI=1S/C24H23ClN4O/c25-19-6-4-5-17(13-19)18-14-22-21(23(30)15-18)16-26-24(27-22)29-11-9-28(10-12-29)20-7-2-1-3-8-20/h1-8,13,16,18H,9-12,14-15H2
InChIKeyLIRXFBXUQRJWMZ-UHFFFAOYSA-N
MW418.93 g/mol
LogP4.37
Rot. Bonds3

About 7-(3-chlorophenyl)-2-(4-phenylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one

7-(3-chlorophenyl)-2-(4-phenylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 665827) has the molecular formula C24H23ClN4O and a molecular weight of 418.93 g/mol. Its IUPAC name is 7-(3-chlorophenyl)-2-(4-phenylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

Compound Name7-(3-chlorophenyl)-2-(4-phenylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one
PubChem CID665827
Molecular FormulaC24H23ClN4O
Molecular Weight418.93 g/mol
Exact Mass418.16
IUPAC Name7-(3-chlorophenyl)-2-(4-phenylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one
SMILESO=C1CC(c2cccc(Cl)c2)Cc2nc(N3CCN(c4ccccc4)CC3)ncc21
InChIInChI=1S/C24H23ClN4O/c25-19-6-4-5-17(13-19)18-14-22-21(23(30)15-18)16-26-24(27-22)29-11-9-28(10-12-29)20-7-2-1-3-8-20/h1-8,13,16,18H,9-12,14-15H2
InChIKeyLIRXFBXUQRJWMZ-UHFFFAOYSA-N
XLogP4.37
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.93
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(3-chlorophenyl)-2-(4-phenylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one?
The IUPAC name of 7-(3-chlorophenyl)-2-(4-phenylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one (CID 665827) is 7-(3-chlorophenyl)-2-(4-phenylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one.
What is the SMILES notation for 7-(3-chlorophenyl)-2-(4-phenylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one?
The canonical SMILES for 7-(3-chlorophenyl)-2-(4-phenylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one is O=C1CC(c2cccc(Cl)c2)Cc2nc(N3CCN(c4ccccc4)CC3)ncc21.
What is the InChIKey of 7-(3-chlorophenyl)-2-(4-phenylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one?
The InChIKey is LIRXFBXUQRJWMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN4O/c25-19-6-4-5-17(13-19)18-14-22-21(23(30)15-18)16-26-24(27-22)29-11-9-28(10-12-29)20-7-2-1-3-8-20/h1-8,13,16,18H,9-12,14-15H2.
What are the key properties of 7-(3-chlorophenyl)-2-(4-phenylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one?
7-(3-chlorophenyl)-2-(4-phenylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 418.93 g/mol, XLogP of 4.37, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-chlorophenyl)-2-(4-phenylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 665827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).