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

C24H22F2N4O — CID 28629706

IUPAC(7R)-7-(3,5-difluorophenyl)-2-(4-phenylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one
SMILESO=C1C[C@H](c2cc(F)cc(F)c2)Cc2nc(N3CCN(c4ccccc4)CC3)ncc21
InChIInChI=1S/C24H22F2N4O/c25-18-10-16(11-19(26)14-18)17-12-22-21(23(31)13-17)15-27-24(28-22)30-8-6-29(7-9-30)20-4-2-1-3-5-20/h1-5,10-11,14-15,17H,6-9,12-13H2/t17-/m1/s1
InChIKeyCSWAKNWDKWIQDM-QGZVFWFLSA-N
MW420.46 g/mol
LogP3.99
Rot. Bonds3

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

(7R)-7-(3,5-difluorophenyl)-2-(4-phenylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 28629706) has the molecular formula C24H22F2N4O and a molecular weight of 420.46 g/mol. Its IUPAC name is (7R)-7-(3,5-difluorophenyl)-2-(4-phenylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

Compound Name(7R)-7-(3,5-difluorophenyl)-2-(4-phenylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one
PubChem CID28629706
Molecular FormulaC24H22F2N4O
Molecular Weight420.46 g/mol
Exact Mass420.18
IUPAC Name(7R)-7-(3,5-difluorophenyl)-2-(4-phenylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one
SMILESO=C1C[C@H](c2cc(F)cc(F)c2)Cc2nc(N3CCN(c4ccccc4)CC3)ncc21
InChIInChI=1S/C24H22F2N4O/c25-18-10-16(11-19(26)14-18)17-12-22-21(23(31)13-17)15-27-24(28-22)30-8-6-29(7-9-30)20-4-2-1-3-5-20/h1-5,10-11,14-15,17H,6-9,12-13H2/t17-/m1/s1
InChIKeyCSWAKNWDKWIQDM-QGZVFWFLSA-N
XLogP3.99
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.46
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (7R)-7-(3,5-difluorophenyl)-2-(4-phenylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one?
The IUPAC name of (7R)-7-(3,5-difluorophenyl)-2-(4-phenylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one (CID 28629706) is (7R)-7-(3,5-difluorophenyl)-2-(4-phenylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one.
What is the SMILES notation for (7R)-7-(3,5-difluorophenyl)-2-(4-phenylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one?
The canonical SMILES for (7R)-7-(3,5-difluorophenyl)-2-(4-phenylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one is O=C1C[C@H](c2cc(F)cc(F)c2)Cc2nc(N3CCN(c4ccccc4)CC3)ncc21.
What is the InChIKey of (7R)-7-(3,5-difluorophenyl)-2-(4-phenylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one?
The InChIKey is CSWAKNWDKWIQDM-QGZVFWFLSA-N. The full InChI is InChI=1S/C24H22F2N4O/c25-18-10-16(11-19(26)14-18)17-12-22-21(23(31)13-17)15-27-24(28-22)30-8-6-29(7-9-30)20-4-2-1-3-5-20/h1-5,10-11,14-15,17H,6-9,12-13H2/t17-/m1/s1.
What are the key properties of (7R)-7-(3,5-difluorophenyl)-2-(4-phenylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one?
(7R)-7-(3,5-difluorophenyl)-2-(4-phenylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 420.46 g/mol, XLogP of 3.99, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-7-(3,5-difluorophenyl)-2-(4-phenylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 28629706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).