(2R)-1-[4-[2-(2,6-dimethylphenyl)-7-methylquinazolin-4-yl]piperazin-1-yl]-2-hydroxy-4-methylpentan-1-one

C27H34N4O2 — CID 158578683

IUPAC(2R)-1-[4-[2-(2,6-dimethylphenyl)-7-methylquinazolin-4-yl]piperazin-1-yl]-2-hydroxy-4-methylpentan-1-one
SMILESCc1ccc2c(N3CCN(C(=O)[C@H](O)CC(C)C)CC3)nc(-c3c(C)cccc3C)nc2c1
InChIInChI=1S/C27H34N4O2/c1-17(2)15-23(32)27(33)31-13-11-30(12-14-31)26-21-10-9-18(3)16-22(21)28-25(29-26)24-19(4)7-6-8-20(24)5/h6-10,16-17,23,32H,11-15H2,1-5H3/t23-/m1/s1
InChIKeyWDPNASSTMYLBMQ-HSZRJFAPSA-N
MW446.60 g/mol
LogP4.28
Rot. Bonds5

About (2R)-1-[4-[2-(2,6-dimethylphenyl)-7-methylquinazolin-4-yl]piperazin-1-yl]-2-hydroxy-4-methylpentan-1-one

(2R)-1-[4-[2-(2,6-dimethylphenyl)-7-methylquinazolin-4-yl]piperazin-1-yl]-2-hydroxy-4-methylpentan-1-one (PubChem CID 158578683) has the molecular formula C27H34N4O2 and a molecular weight of 446.60 g/mol. Its IUPAC name is (2R)-1-[4-[2-(2,6-dimethylphenyl)-7-methylquinazolin-4-yl]piperazin-1-yl]-2-hydroxy-4-methylpentan-1-one.

Molecular Properties

Compound Name(2R)-1-[4-[2-(2,6-dimethylphenyl)-7-methylquinazolin-4-yl]piperazin-1-yl]-2-hydroxy-4-methylpentan-1-one
PubChem CID158578683
Molecular FormulaC27H34N4O2
Molecular Weight446.60 g/mol
Exact Mass446.27
IUPAC Name(2R)-1-[4-[2-(2,6-dimethylphenyl)-7-methylquinazolin-4-yl]piperazin-1-yl]-2-hydroxy-4-methylpentan-1-one
SMILESCc1ccc2c(N3CCN(C(=O)[C@H](O)CC(C)C)CC3)nc(-c3c(C)cccc3C)nc2c1
InChIInChI=1S/C27H34N4O2/c1-17(2)15-23(32)27(33)31-13-11-30(12-14-31)26-21-10-9-18(3)16-22(21)28-25(29-26)24-19(4)7-6-8-20(24)5/h6-10,16-17,23,32H,11-15H2,1-5H3/t23-/m1/s1
InChIKeyWDPNASSTMYLBMQ-HSZRJFAPSA-N
XLogP4.28
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.60
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R)-1-[4-[2-(2,6-dimethylphenyl)-7-methylquinazolin-4-yl]piperazin-1-yl]-2-hydroxy-4-methylpentan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-hydroxy-4-methyl-1-[4-(7-methyl-2-phenylquinazolin-4-yl)piperazin-1-yl]pentan-1-one
CID 70835274
3-hydroxy-1-[4-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]piperazin-1-yl]-5-methylhexan-1-one
CID 143198707
butane;2-hydroxy-1-[4-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]piperazin-1-yl]butan-1-one
CID 143245075
(2R)-2-hydroxy-1-[3-(hydroxymethyl)-4-[7-methyl-2-(2-methylphenyl)quinazolin-4-yl]piperazin-1-yl]-4-methylpentan-1-one;molecular hydrogen
CID 161401398
(2R)-2-hydroxy-1-[4-[2-(2-hydroxyphenyl)quinazolin-4-yl]piperazin-1-yl]-4-methylpentan-1-one;molecular hydrogen
CID 160603801
bis(2-hydroxy-1-[4-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]piperazin-1-yl]-3-methylbutan-1-one);hydrochloride
CID 161364853
(2R)-4-fluoro-2-hydroxy-1-[4-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]piperazin-1-yl]-4-methylpentan-1-one;4-fluoro-1-[4-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]piperazin-1-yl]-4-methylpentan-1-one
CID 160776153
2-hydroxy-1-[4-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]piperazin-1-yl]-2-methylpropan-1-one;molecular hydrogen
CID 159506141
2-hydroxy-1-[4-[2-(2-methylphenyl)quinazolin-4-yl]piperazin-1-yl]pentan-1-one
CID 157193682
1-[4-[6-bromo-2-(2-methoxyphenyl)quinazolin-4-yl]piperazin-1-yl]-2-hydroxy-4-methylpentan-1-one
CID 68877683
1-[4-[2-(5-fluoro-2-hydroxyphenyl)-7-methylquinazolin-4-yl]piperazin-1-yl]-5-methylhexan-1-one
CID 143198644
(2R)-1-[4-[6-fluoro-2-(2-methylphenyl)quinazolin-4-yl]piperazin-1-yl]-2-hydroxy-4,4-dimethylpentan-1-one
CID 157442409

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[4-[2-(2,6-dimethylphenyl)-7-methylquinazolin-4-yl]piperazin-1-yl]-2-hydroxy-4-methylpentan-1-one?
The IUPAC name of (2R)-1-[4-[2-(2,6-dimethylphenyl)-7-methylquinazolin-4-yl]piperazin-1-yl]-2-hydroxy-4-methylpentan-1-one (CID 158578683) is (2R)-1-[4-[2-(2,6-dimethylphenyl)-7-methylquinazolin-4-yl]piperazin-1-yl]-2-hydroxy-4-methylpentan-1-one.
What is the SMILES notation for (2R)-1-[4-[2-(2,6-dimethylphenyl)-7-methylquinazolin-4-yl]piperazin-1-yl]-2-hydroxy-4-methylpentan-1-one?
The canonical SMILES for (2R)-1-[4-[2-(2,6-dimethylphenyl)-7-methylquinazolin-4-yl]piperazin-1-yl]-2-hydroxy-4-methylpentan-1-one is Cc1ccc2c(N3CCN(C(=O)[C@H](O)CC(C)C)CC3)nc(-c3c(C)cccc3C)nc2c1.
What is the InChIKey of (2R)-1-[4-[2-(2,6-dimethylphenyl)-7-methylquinazolin-4-yl]piperazin-1-yl]-2-hydroxy-4-methylpentan-1-one?
The InChIKey is WDPNASSTMYLBMQ-HSZRJFAPSA-N. The full InChI is InChI=1S/C27H34N4O2/c1-17(2)15-23(32)27(33)31-13-11-30(12-14-31)26-21-10-9-18(3)16-22(21)28-25(29-26)24-19(4)7-6-8-20(24)5/h6-10,16-17,23,32H,11-15H2,1-5H3/t23-/m1/s1.
What are the key properties of (2R)-1-[4-[2-(2,6-dimethylphenyl)-7-methylquinazolin-4-yl]piperazin-1-yl]-2-hydroxy-4-methylpentan-1-one?
(2R)-1-[4-[2-(2,6-dimethylphenyl)-7-methylquinazolin-4-yl]piperazin-1-yl]-2-hydroxy-4-methylpentan-1-one has a molecular weight of 446.60 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[4-[2-(2,6-dimethylphenyl)-7-methylquinazolin-4-yl]piperazin-1-yl]-2-hydroxy-4-methylpentan-1-one is sourced from PubChem (CID 158578683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).