1-methyl-3-[[(2R)-2-methyl-4-(2-methylphenyl)-5-oxopiperazin-1-yl]methyl]quinolin-2-one

C23H25N3O2 — CID 96576866

IUPAC1-methyl-3-[[(2R)-2-methyl-4-(2-methylphenyl)-5-oxopiperazin-1-yl]methyl]quinolin-2-one
SMILESCc1ccccc1N1C[C@@H](C)N(Cc2cc3ccccc3n(C)c2=O)CC1=O
InChIInChI=1S/C23H25N3O2/c1-16-8-4-6-10-20(16)26-13-17(2)25(15-22(26)27)14-19-12-18-9-5-7-11-21(18)24(3)23(19)28/h4-12,17H,13-15H2,1-3H3/t17-/m1/s1
InChIKeyJTSQHHPGHHBMQV-QGZVFWFLSA-N
MW375.47 g/mol
LogP3.08
Rot. Bonds3

About 1-methyl-3-[[(2R)-2-methyl-4-(2-methylphenyl)-5-oxopiperazin-1-yl]methyl]quinolin-2-one

1-methyl-3-[[(2R)-2-methyl-4-(2-methylphenyl)-5-oxopiperazin-1-yl]methyl]quinolin-2-one (PubChem CID 96576866) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is 1-methyl-3-[[(2R)-2-methyl-4-(2-methylphenyl)-5-oxopiperazin-1-yl]methyl]quinolin-2-one.

Molecular Properties

Compound Name1-methyl-3-[[(2R)-2-methyl-4-(2-methylphenyl)-5-oxopiperazin-1-yl]methyl]quinolin-2-one
PubChem CID96576866
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC Name1-methyl-3-[[(2R)-2-methyl-4-(2-methylphenyl)-5-oxopiperazin-1-yl]methyl]quinolin-2-one
SMILESCc1ccccc1N1C[C@@H](C)N(Cc2cc3ccccc3n(C)c2=O)CC1=O
InChIInChI=1S/C23H25N3O2/c1-16-8-4-6-10-20(16)26-13-17(2)25(15-22(26)27)14-19-12-18-9-5-7-11-21(18)24(3)23(19)28/h4-12,17H,13-15H2,1-3H3/t17-/m1/s1
InChIKeyJTSQHHPGHHBMQV-QGZVFWFLSA-N
XLogP3.08
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[[(2R)-2-methyl-4-(2-methylphenyl)-5-oxopiperazin-1-yl]methyl]quinolin-2-one?
The IUPAC name of 1-methyl-3-[[(2R)-2-methyl-4-(2-methylphenyl)-5-oxopiperazin-1-yl]methyl]quinolin-2-one (CID 96576866) is 1-methyl-3-[[(2R)-2-methyl-4-(2-methylphenyl)-5-oxopiperazin-1-yl]methyl]quinolin-2-one.
What is the SMILES notation for 1-methyl-3-[[(2R)-2-methyl-4-(2-methylphenyl)-5-oxopiperazin-1-yl]methyl]quinolin-2-one?
The canonical SMILES for 1-methyl-3-[[(2R)-2-methyl-4-(2-methylphenyl)-5-oxopiperazin-1-yl]methyl]quinolin-2-one is Cc1ccccc1N1C[C@@H](C)N(Cc2cc3ccccc3n(C)c2=O)CC1=O.
What is the InChIKey of 1-methyl-3-[[(2R)-2-methyl-4-(2-methylphenyl)-5-oxopiperazin-1-yl]methyl]quinolin-2-one?
The InChIKey is JTSQHHPGHHBMQV-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-16-8-4-6-10-20(16)26-13-17(2)25(15-22(26)27)14-19-12-18-9-5-7-11-21(18)24(3)23(19)28/h4-12,17H,13-15H2,1-3H3/t17-/m1/s1.
What are the key properties of 1-methyl-3-[[(2R)-2-methyl-4-(2-methylphenyl)-5-oxopiperazin-1-yl]methyl]quinolin-2-one?
1-methyl-3-[[(2R)-2-methyl-4-(2-methylphenyl)-5-oxopiperazin-1-yl]methyl]quinolin-2-one has a molecular weight of 375.47 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[[(2R)-2-methyl-4-(2-methylphenyl)-5-oxopiperazin-1-yl]methyl]quinolin-2-one is sourced from PubChem (CID 96576866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).