(3R)-4-[(7-hydroxyquinolin-3-yl)methyl]-3-methyl-1-(2-methylpropyl)piperazin-2-one

C19H25N3O2 — CID 136829958

IUPAC(3R)-4-[(7-hydroxyquinolin-3-yl)methyl]-3-methyl-1-(2-methylpropyl)piperazin-2-one
SMILESCC(C)CN1CCN(Cc2cnc3cc(O)ccc3c2)[C@H](C)C1=O
InChIInChI=1S/C19H25N3O2/c1-13(2)11-22-7-6-21(14(3)19(22)24)12-15-8-16-4-5-17(23)9-18(16)20-10-15/h4-5,8-10,13-14,23H,6-7,11-12H2,1-3H3/t14-/m1/s1
InChIKeyQLTIKSXQBPYSGH-CQSZACIVSA-N
MW327.43 g/mol
LogP2.63
Rot. Bonds4

About (3R)-4-[(7-hydroxyquinolin-3-yl)methyl]-3-methyl-1-(2-methylpropyl)piperazin-2-one

(3R)-4-[(7-hydroxyquinolin-3-yl)methyl]-3-methyl-1-(2-methylpropyl)piperazin-2-one (PubChem CID 136829958) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is (3R)-4-[(7-hydroxyquinolin-3-yl)methyl]-3-methyl-1-(2-methylpropyl)piperazin-2-one.

Molecular Properties

Compound Name(3R)-4-[(7-hydroxyquinolin-3-yl)methyl]-3-methyl-1-(2-methylpropyl)piperazin-2-one
PubChem CID136829958
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name(3R)-4-[(7-hydroxyquinolin-3-yl)methyl]-3-methyl-1-(2-methylpropyl)piperazin-2-one
SMILESCC(C)CN1CCN(Cc2cnc3cc(O)ccc3c2)[C@H](C)C1=O
InChIInChI=1S/C19H25N3O2/c1-13(2)11-22-7-6-21(14(3)19(22)24)12-15-8-16-4-5-17(23)9-18(16)20-10-15/h4-5,8-10,13-14,23H,6-7,11-12H2,1-3H3/t14-/m1/s1
InChIKeyQLTIKSXQBPYSGH-CQSZACIVSA-N
XLogP2.63
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3R)-4-[(7-hydroxyquinolin-3-yl)methyl]-3-methyl-1-(2-methylpropyl)piperazin-2-one with MolForge

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Related Compounds

4-(1-benzofuran-5-ylmethyl)-3-methyl-1-(2-methylpropyl)piperazin-2-one
CID 70776408
methyl 4-methoxy-3-[[(2R)-2-methyl-4-(2-methylpropyl)-3-oxopiperazin-1-yl]methyl]benzoate
CID 95728178
(3S)-4-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-3-methyl-1-(2-methylpropyl)piperazin-2-one
CID 95723749
(3R)-3-methyl-1-(2-methylpropyl)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]piperazin-2-one
CID 125174779
(3S)-4-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-3-methyl-1-(2-methylpropyl)piperazin-2-one
CID 95710005
4-[(2-fluoro-4,5-dimethoxyphenyl)methyl]-3-methyl-1-(2-methylpropyl)piperazin-2-one
CID 70784052
(3R)-1,3-dimethyl-4-[(2-methylquinolin-6-yl)methyl]piperazin-2-one
CID 99826047
2-(7-hydroxyquinolin-3-yl)acetonitrile
CID 137194392
4-[4-(hydroxymethyl)pyridine-2-carbonyl]-3-methyl-1-(2-methylpropyl)piperazin-2-one
CID 91784309
(3S)-1-[(4-aminoquinazolin-7-yl)methyl]-4-[(6-chloronaphthalen-2-yl)methyl]-3-methylpiperazin-2-one
CID 54143172
3-[(4-ethyl-2-methyl-3-oxopiperazin-1-yl)methyl]benzoic acid
CID 122033180
4-(5-chloro-2-hydroxybenzoyl)-3-methyl-1-(2-methylpropyl)piperazin-2-one
CID 70718977

Frequently Asked Questions

What is the IUPAC name of (3R)-4-[(7-hydroxyquinolin-3-yl)methyl]-3-methyl-1-(2-methylpropyl)piperazin-2-one?
The IUPAC name of (3R)-4-[(7-hydroxyquinolin-3-yl)methyl]-3-methyl-1-(2-methylpropyl)piperazin-2-one (CID 136829958) is (3R)-4-[(7-hydroxyquinolin-3-yl)methyl]-3-methyl-1-(2-methylpropyl)piperazin-2-one.
What is the SMILES notation for (3R)-4-[(7-hydroxyquinolin-3-yl)methyl]-3-methyl-1-(2-methylpropyl)piperazin-2-one?
The canonical SMILES for (3R)-4-[(7-hydroxyquinolin-3-yl)methyl]-3-methyl-1-(2-methylpropyl)piperazin-2-one is CC(C)CN1CCN(Cc2cnc3cc(O)ccc3c2)[C@H](C)C1=O.
What is the InChIKey of (3R)-4-[(7-hydroxyquinolin-3-yl)methyl]-3-methyl-1-(2-methylpropyl)piperazin-2-one?
The InChIKey is QLTIKSXQBPYSGH-CQSZACIVSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-13(2)11-22-7-6-21(14(3)19(22)24)12-15-8-16-4-5-17(23)9-18(16)20-10-15/h4-5,8-10,13-14,23H,6-7,11-12H2,1-3H3/t14-/m1/s1.
What are the key properties of (3R)-4-[(7-hydroxyquinolin-3-yl)methyl]-3-methyl-1-(2-methylpropyl)piperazin-2-one?
(3R)-4-[(7-hydroxyquinolin-3-yl)methyl]-3-methyl-1-(2-methylpropyl)piperazin-2-one has a molecular weight of 327.43 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-[(7-hydroxyquinolin-3-yl)methyl]-3-methyl-1-(2-methylpropyl)piperazin-2-one is sourced from PubChem (CID 136829958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).