(2R)-2-hydroxy-4-methyl-1-[4-(7-methyl-2-phenylquinazolin-4-yl)piperazin-1-yl]pentan-1-one

C25H30N4O2 — CID 70835274

IUPAC(2R)-2-hydroxy-4-methyl-1-[4-(7-methyl-2-phenylquinazolin-4-yl)piperazin-1-yl]pentan-1-one
SMILESCc1ccc2c(N3CCN(C(=O)[C@H](O)CC(C)C)CC3)nc(-c3ccccc3)nc2c1
InChIInChI=1S/C25H30N4O2/c1-17(2)15-22(30)25(31)29-13-11-28(12-14-29)24-20-10-9-18(3)16-21(20)26-23(27-24)19-7-5-4-6-8-19/h4-10,16-17,22,30H,11-15H2,1-3H3/t22-/m1/s1
InChIKeyGUFINMIHDUCZKV-JOCHJYFZSA-N
MW418.54 g/mol
LogP3.66
Rot. Bonds5

About (2R)-2-hydroxy-4-methyl-1-[4-(7-methyl-2-phenylquinazolin-4-yl)piperazin-1-yl]pentan-1-one

(2R)-2-hydroxy-4-methyl-1-[4-(7-methyl-2-phenylquinazolin-4-yl)piperazin-1-yl]pentan-1-one (PubChem CID 70835274) has the molecular formula C25H30N4O2 and a molecular weight of 418.54 g/mol. Its IUPAC name is (2R)-2-hydroxy-4-methyl-1-[4-(7-methyl-2-phenylquinazolin-4-yl)piperazin-1-yl]pentan-1-one.

Molecular Properties

Compound Name(2R)-2-hydroxy-4-methyl-1-[4-(7-methyl-2-phenylquinazolin-4-yl)piperazin-1-yl]pentan-1-one
PubChem CID70835274
Molecular FormulaC25H30N4O2
Molecular Weight418.54 g/mol
Exact Mass418.24
IUPAC Name(2R)-2-hydroxy-4-methyl-1-[4-(7-methyl-2-phenylquinazolin-4-yl)piperazin-1-yl]pentan-1-one
SMILESCc1ccc2c(N3CCN(C(=O)[C@H](O)CC(C)C)CC3)nc(-c3ccccc3)nc2c1
InChIInChI=1S/C25H30N4O2/c1-17(2)15-22(30)25(31)29-13-11-28(12-14-29)24-20-10-9-18(3)16-21(20)26-23(27-24)19-7-5-4-6-8-19/h4-10,16-17,22,30H,11-15H2,1-3H3/t22-/m1/s1
InChIKeyGUFINMIHDUCZKV-JOCHJYFZSA-N
XLogP3.66
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.54
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-hydroxy-4-methyl-1-[4-(7-methyl-2-phenylquinazolin-4-yl)piperazin-1-yl]pentan-1-one?
The IUPAC name of (2R)-2-hydroxy-4-methyl-1-[4-(7-methyl-2-phenylquinazolin-4-yl)piperazin-1-yl]pentan-1-one (CID 70835274) is (2R)-2-hydroxy-4-methyl-1-[4-(7-methyl-2-phenylquinazolin-4-yl)piperazin-1-yl]pentan-1-one.
What is the SMILES notation for (2R)-2-hydroxy-4-methyl-1-[4-(7-methyl-2-phenylquinazolin-4-yl)piperazin-1-yl]pentan-1-one?
The canonical SMILES for (2R)-2-hydroxy-4-methyl-1-[4-(7-methyl-2-phenylquinazolin-4-yl)piperazin-1-yl]pentan-1-one is Cc1ccc2c(N3CCN(C(=O)[C@H](O)CC(C)C)CC3)nc(-c3ccccc3)nc2c1.
What is the InChIKey of (2R)-2-hydroxy-4-methyl-1-[4-(7-methyl-2-phenylquinazolin-4-yl)piperazin-1-yl]pentan-1-one?
The InChIKey is GUFINMIHDUCZKV-JOCHJYFZSA-N. The full InChI is InChI=1S/C25H30N4O2/c1-17(2)15-22(30)25(31)29-13-11-28(12-14-29)24-20-10-9-18(3)16-21(20)26-23(27-24)19-7-5-4-6-8-19/h4-10,16-17,22,30H,11-15H2,1-3H3/t22-/m1/s1.
What are the key properties of (2R)-2-hydroxy-4-methyl-1-[4-(7-methyl-2-phenylquinazolin-4-yl)piperazin-1-yl]pentan-1-one?
(2R)-2-hydroxy-4-methyl-1-[4-(7-methyl-2-phenylquinazolin-4-yl)piperazin-1-yl]pentan-1-one has a molecular weight of 418.54 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-hydroxy-4-methyl-1-[4-(7-methyl-2-phenylquinazolin-4-yl)piperazin-1-yl]pentan-1-one is sourced from PubChem (CID 70835274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).