2-hydroxy-1-[4-[2-(2-methylphenyl)quinazolin-4-yl]piperazin-1-yl]pentan-1-one

C24H28N4O2 — CID 157193682

IUPAC2-hydroxy-1-[4-[2-(2-methylphenyl)quinazolin-4-yl]piperazin-1-yl]pentan-1-one
SMILESCCCC(O)C(=O)N1CCN(c2nc(-c3ccccc3C)nc3ccccc23)CC1
InChIInChI=1S/C24H28N4O2/c1-3-8-21(29)24(30)28-15-13-27(14-16-28)23-19-11-6-7-12-20(19)25-22(26-23)18-10-5-4-9-17(18)2/h4-7,9-12,21,29H,3,8,13-16H2,1-2H3
InChIKeyOVFPXLSJXPRKPO-UHFFFAOYSA-N
MW404.51 g/mol
LogP3.41
Rot. Bonds5

About 2-hydroxy-1-[4-[2-(2-methylphenyl)quinazolin-4-yl]piperazin-1-yl]pentan-1-one

2-hydroxy-1-[4-[2-(2-methylphenyl)quinazolin-4-yl]piperazin-1-yl]pentan-1-one (PubChem CID 157193682) has the molecular formula C24H28N4O2 and a molecular weight of 404.51 g/mol. Its IUPAC name is 2-hydroxy-1-[4-[2-(2-methylphenyl)quinazolin-4-yl]piperazin-1-yl]pentan-1-one.

Molecular Properties

Compound Name2-hydroxy-1-[4-[2-(2-methylphenyl)quinazolin-4-yl]piperazin-1-yl]pentan-1-one
PubChem CID157193682
Molecular FormulaC24H28N4O2
Molecular Weight404.51 g/mol
Exact Mass404.22
IUPAC Name2-hydroxy-1-[4-[2-(2-methylphenyl)quinazolin-4-yl]piperazin-1-yl]pentan-1-one
SMILESCCCC(O)C(=O)N1CCN(c2nc(-c3ccccc3C)nc3ccccc23)CC1
InChIInChI=1S/C24H28N4O2/c1-3-8-21(29)24(30)28-15-13-27(14-16-28)23-19-11-6-7-12-20(19)25-22(26-23)18-10-5-4-9-17(18)2/h4-7,9-12,21,29H,3,8,13-16H2,1-2H3
InChIKeyOVFPXLSJXPRKPO-UHFFFAOYSA-N
XLogP3.41
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-hydroxy-1-[4-[2-(2-hydroxyphenyl)quinazolin-4-yl]piperazin-1-yl]hexan-1-one;molecular hydrogen
CID 158576583
2-hydroxy-N-[1-[2-(2-methylphenyl)quinazolin-4-yl]piperidin-4-yl]pentanamide
CID 158530174
(2R)-1-[4-[6-fluoro-2-(2-methylphenyl)quinazolin-4-yl]piperazin-1-yl]-2-hydroxy-4,4-dimethylpentan-1-one
CID 157442409
(2R)-2-hydroxy-1-[4-[2-(2-hydroxyphenyl)quinazolin-4-yl]piperazin-1-yl]-4-methylpentan-1-one;molecular hydrogen
CID 160603801
butane;2-hydroxy-1-[4-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]piperazin-1-yl]butan-1-one
CID 143245075
(3R)-3-hydroxy-1-[4-[2-(2-hydroxyphenyl)quinazolin-4-yl]piperazin-1-yl]butan-1-one;molecular hydrogen
CID 159133211
2-hydroxy-N-[1-[7-methyl-2-(2-methylphenyl)quinazolin-4-yl]piperidin-4-yl]hexanamide
CID 159216770
(2R)-2-hydroxy-4-methyl-1-[4-(7-methyl-2-phenylquinazolin-4-yl)piperazin-1-yl]pentan-1-one
CID 70835274
bis((2R)-1-[4-[6-fluoro-2-(2-hydroxyphenyl)quinazolin-4-yl]piperazin-1-yl]-2-hydroxy-4,4-dimethylpentan-1-one);hydrochloride
CID 158205493
(2R)-1-[4-[2-(2,6-dimethylphenyl)-7-methylquinazolin-4-yl]piperazin-1-yl]-2-hydroxy-4-methylpentan-1-one
CID 158578683
(2R)-1-[4-[6-fluoro-2-(2-hydroxyphenyl)quinazolin-4-yl]piperazin-1-yl]-2-hydroxy-4,4-dimethylpentan-1-one;molecular hydrogen
CID 161039660
bis(2-hydroxy-1-[4-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]piperazin-1-yl]-3-methylbutan-1-one);hydrochloride
CID 161364853

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-[4-[2-(2-methylphenyl)quinazolin-4-yl]piperazin-1-yl]pentan-1-one?
The IUPAC name of 2-hydroxy-1-[4-[2-(2-methylphenyl)quinazolin-4-yl]piperazin-1-yl]pentan-1-one (CID 157193682) is 2-hydroxy-1-[4-[2-(2-methylphenyl)quinazolin-4-yl]piperazin-1-yl]pentan-1-one.
What is the SMILES notation for 2-hydroxy-1-[4-[2-(2-methylphenyl)quinazolin-4-yl]piperazin-1-yl]pentan-1-one?
The canonical SMILES for 2-hydroxy-1-[4-[2-(2-methylphenyl)quinazolin-4-yl]piperazin-1-yl]pentan-1-one is CCCC(O)C(=O)N1CCN(c2nc(-c3ccccc3C)nc3ccccc23)CC1.
What is the InChIKey of 2-hydroxy-1-[4-[2-(2-methylphenyl)quinazolin-4-yl]piperazin-1-yl]pentan-1-one?
The InChIKey is OVFPXLSJXPRKPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2/c1-3-8-21(29)24(30)28-15-13-27(14-16-28)23-19-11-6-7-12-20(19)25-22(26-23)18-10-5-4-9-17(18)2/h4-7,9-12,21,29H,3,8,13-16H2,1-2H3.
What are the key properties of 2-hydroxy-1-[4-[2-(2-methylphenyl)quinazolin-4-yl]piperazin-1-yl]pentan-1-one?
2-hydroxy-1-[4-[2-(2-methylphenyl)quinazolin-4-yl]piperazin-1-yl]pentan-1-one has a molecular weight of 404.51 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-[4-[2-(2-methylphenyl)quinazolin-4-yl]piperazin-1-yl]pentan-1-one is sourced from PubChem (CID 157193682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).