(3R)-3-methyl-4-[[7-methyl-2-(3-methylphenyl)quinolin-3-yl]methyl]piperazin-2-one

C23H25N3O — CID 95871055

IUPAC(3R)-3-methyl-4-[[7-methyl-2-(3-methylphenyl)quinolin-3-yl]methyl]piperazin-2-one
SMILESCc1cccc(-c2nc3cc(C)ccc3cc2CN2CCNC(=O)[C@H]2C)c1
InChIInChI=1S/C23H25N3O/c1-15-5-4-6-19(11-15)22-20(14-26-10-9-24-23(27)17(26)3)13-18-8-7-16(2)12-21(18)25-22/h4-8,11-13,17H,9-10,14H2,1-3H3,(H,24,27)/t17-/m1/s1
InChIKeyCBECBNDZKLSBTE-QGZVFWFLSA-N
MW359.47 g/mol
LogP3.84
Rot. Bonds3

About (3R)-3-methyl-4-[[7-methyl-2-(3-methylphenyl)quinolin-3-yl]methyl]piperazin-2-one

(3R)-3-methyl-4-[[7-methyl-2-(3-methylphenyl)quinolin-3-yl]methyl]piperazin-2-one (PubChem CID 95871055) has the molecular formula C23H25N3O and a molecular weight of 359.47 g/mol. Its IUPAC name is (3R)-3-methyl-4-[[7-methyl-2-(3-methylphenyl)quinolin-3-yl]methyl]piperazin-2-one.

Molecular Properties

Compound Name(3R)-3-methyl-4-[[7-methyl-2-(3-methylphenyl)quinolin-3-yl]methyl]piperazin-2-one
PubChem CID95871055
Molecular FormulaC23H25N3O
Molecular Weight359.47 g/mol
Exact Mass359.20
IUPAC Name(3R)-3-methyl-4-[[7-methyl-2-(3-methylphenyl)quinolin-3-yl]methyl]piperazin-2-one
SMILESCc1cccc(-c2nc3cc(C)ccc3cc2CN2CCNC(=O)[C@H]2C)c1
InChIInChI=1S/C23H25N3O/c1-15-5-4-6-19(11-15)22-20(14-26-10-9-24-23(27)17(26)3)13-18-8-7-16(2)12-21(18)25-22/h4-8,11-13,17H,9-10,14H2,1-3H3,(H,24,27)/t17-/m1/s1
InChIKeyCBECBNDZKLSBTE-QGZVFWFLSA-N
XLogP3.84
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3R)-3-methyl-4-[[7-methyl-2-(3-methylphenyl)quinolin-3-yl]methyl]piperazin-2-one with MolForge

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Related Compounds

4-[4-[3-(hydroxymethyl)-7-methylquinolin-2-yl]benzoyl]-3-methylpiperazin-2-one
CID 122561030
(1R,6S)-9-[[7-methyl-2-(3-methylphenyl)quinolin-3-yl]methyl]-3,9-diazabicyclo[4.2.1]nonan-4-one
CID 133128743
4-[[7-methoxy-2-(3-methylphenyl)quinolin-3-yl]methyl]-1-methylpiperazin-2-one
CID 70738695
(3S)-4-benzyl-3-methylpiperazin-2-one
CID 129362839
4-(2,3-dihydro-1H-indol-7-ylmethyl)-3-methylpiperazin-2-one
CID 113278010
(3S)-4-[(2,4-dichlorophenyl)methyl]-3-methylpiperazin-2-one
CID 52881469
3-methyl-4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-2-one
CID 136524266
(2S)-1-[[6-(3-methylphenyl)-[1,3]dioxolo[4,5-g]quinolin-7-yl]methyl]pyrrolidine-2-carboxamide
CID 70775162
3-fluoro-4-[(2-methyl-3-oxopiperazin-1-yl)methyl]benzonitrile
CID 63373269
4-[(5-amino-2-hydroxyphenyl)methyl]-3-methylpiperazin-2-one
CID 63595757
3-methyl-4-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]piperazin-2-one
CID 123474165
4-[[2-(4-hydroxybut-1-ynyl)phenyl]methyl]-3-methylpiperazin-2-one
CID 63608397

Frequently Asked Questions

What is the IUPAC name of (3R)-3-methyl-4-[[7-methyl-2-(3-methylphenyl)quinolin-3-yl]methyl]piperazin-2-one?
The IUPAC name of (3R)-3-methyl-4-[[7-methyl-2-(3-methylphenyl)quinolin-3-yl]methyl]piperazin-2-one (CID 95871055) is (3R)-3-methyl-4-[[7-methyl-2-(3-methylphenyl)quinolin-3-yl]methyl]piperazin-2-one.
What is the SMILES notation for (3R)-3-methyl-4-[[7-methyl-2-(3-methylphenyl)quinolin-3-yl]methyl]piperazin-2-one?
The canonical SMILES for (3R)-3-methyl-4-[[7-methyl-2-(3-methylphenyl)quinolin-3-yl]methyl]piperazin-2-one is Cc1cccc(-c2nc3cc(C)ccc3cc2CN2CCNC(=O)[C@H]2C)c1.
What is the InChIKey of (3R)-3-methyl-4-[[7-methyl-2-(3-methylphenyl)quinolin-3-yl]methyl]piperazin-2-one?
The InChIKey is CBECBNDZKLSBTE-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H25N3O/c1-15-5-4-6-19(11-15)22-20(14-26-10-9-24-23(27)17(26)3)13-18-8-7-16(2)12-21(18)25-22/h4-8,11-13,17H,9-10,14H2,1-3H3,(H,24,27)/t17-/m1/s1.
What are the key properties of (3R)-3-methyl-4-[[7-methyl-2-(3-methylphenyl)quinolin-3-yl]methyl]piperazin-2-one?
(3R)-3-methyl-4-[[7-methyl-2-(3-methylphenyl)quinolin-3-yl]methyl]piperazin-2-one has a molecular weight of 359.47 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methyl-4-[[7-methyl-2-(3-methylphenyl)quinolin-3-yl]methyl]piperazin-2-one is sourced from PubChem (CID 95871055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).