2-[[(2S)-2-(2-hydroxyethyl)-3-oxopiperazin-1-yl]methyl]-6,8-dimethyl-1H-quinolin-4-one

C18H23N3O3 — CID 125165953

IUPAC2-[[(2S)-2-(2-hydroxyethyl)-3-oxopiperazin-1-yl]methyl]-6,8-dimethyl-1H-quinolin-4-one
SMILESCc1cc(C)c2[nH]c(CN3CCNC(=O)[C@@H]3CCO)cc(=O)c2c1
InChIInChI=1S/C18H23N3O3/c1-11-7-12(2)17-14(8-11)16(23)9-13(20-17)10-21-5-4-19-18(24)15(21)3-6-22/h7-9,15,22H,3-6,10H2,1-2H3,(H,19,24)(H,20,23)/t15-/m0/s1
InChIKeyKUWAPHULXDNOPN-HNNXBMFYSA-N
MW329.40 g/mol
LogP0.83
Rot. Bonds4

About 2-[[(2S)-2-(2-hydroxyethyl)-3-oxopiperazin-1-yl]methyl]-6,8-dimethyl-1H-quinolin-4-one

2-[[(2S)-2-(2-hydroxyethyl)-3-oxopiperazin-1-yl]methyl]-6,8-dimethyl-1H-quinolin-4-one (PubChem CID 125165953) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is 2-[[(2S)-2-(2-hydroxyethyl)-3-oxopiperazin-1-yl]methyl]-6,8-dimethyl-1H-quinolin-4-one.

Molecular Properties

Compound Name2-[[(2S)-2-(2-hydroxyethyl)-3-oxopiperazin-1-yl]methyl]-6,8-dimethyl-1H-quinolin-4-one
PubChem CID125165953
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name2-[[(2S)-2-(2-hydroxyethyl)-3-oxopiperazin-1-yl]methyl]-6,8-dimethyl-1H-quinolin-4-one
SMILESCc1cc(C)c2[nH]c(CN3CCNC(=O)[C@@H]3CCO)cc(=O)c2c1
InChIInChI=1S/C18H23N3O3/c1-11-7-12(2)17-14(8-11)16(23)9-13(20-17)10-21-5-4-19-18(24)15(21)3-6-22/h7-9,15,22H,3-6,10H2,1-2H3,(H,19,24)(H,20,23)/t15-/m0/s1
InChIKeyKUWAPHULXDNOPN-HNNXBMFYSA-N
XLogP0.83
TPSA85.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[[(2S)-2-(2-hydroxyethyl)-3-oxopiperazin-1-yl]methyl]-6,8-dimethyl-1H-quinolin-4-one with MolForge

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Related Compounds

2-[(2S)-1-[(5,8-dimethyl-4-oxo-1H-quinolin-2-yl)methyl]-3-oxopiperazin-2-yl]-N-methylacetamide
CID 125155492
2-[[(2S)-2-benzyl-3-oxopiperazin-1-yl]methyl]-6-methyl-1H-quinolin-4-one
CID 97115671
2-[[(6S)-6-(hydroxymethyl)-1,4-oxazepan-4-yl]methyl]-6,8-dimethyl-1H-quinolin-4-one
CID 97144980
6,8-dimethyl-2-[[[(3R)-2-oxopiperidin-3-yl]amino]methyl]-1H-quinolin-4-one
CID 97134850
2-[[(3S)-3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]methyl]-6,8-dimethyl-1H-quinolin-4-one
CID 97146242
2-[[(3R,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidin-1-yl]methyl]-6,8-dimethyl-1H-quinolin-4-one
CID 135119308
(3S)-3-(2-hydroxyethyl)-4-(4-methoxy-3,5-dimethylbenzoyl)piperazin-2-one
CID 95200368
6,8-dimethyl-2-[[3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1H-quinolin-4-one
CID 72936476
1-[(3R,4S)-1-[(6,8-dimethyl-4-oxo-1H-quinolin-2-yl)methyl]-4-hydroxypyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide
CID 134708727
6,8-dimethyl-2-[[[(3S)-piperidin-3-yl]amino]methyl]-1H-quinolin-4-one;dihydrochloride
CID 154900377
3-ethyl-4-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]piperazin-2-one
CID 63601156
4-(4,6-dimethyl-1H-indole-2-carbonyl)-3-propylpiperazin-2-one
CID 138996495

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-2-(2-hydroxyethyl)-3-oxopiperazin-1-yl]methyl]-6,8-dimethyl-1H-quinolin-4-one?
The IUPAC name of 2-[[(2S)-2-(2-hydroxyethyl)-3-oxopiperazin-1-yl]methyl]-6,8-dimethyl-1H-quinolin-4-one (CID 125165953) is 2-[[(2S)-2-(2-hydroxyethyl)-3-oxopiperazin-1-yl]methyl]-6,8-dimethyl-1H-quinolin-4-one.
What is the SMILES notation for 2-[[(2S)-2-(2-hydroxyethyl)-3-oxopiperazin-1-yl]methyl]-6,8-dimethyl-1H-quinolin-4-one?
The canonical SMILES for 2-[[(2S)-2-(2-hydroxyethyl)-3-oxopiperazin-1-yl]methyl]-6,8-dimethyl-1H-quinolin-4-one is Cc1cc(C)c2[nH]c(CN3CCNC(=O)[C@@H]3CCO)cc(=O)c2c1.
What is the InChIKey of 2-[[(2S)-2-(2-hydroxyethyl)-3-oxopiperazin-1-yl]methyl]-6,8-dimethyl-1H-quinolin-4-one?
The InChIKey is KUWAPHULXDNOPN-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-11-7-12(2)17-14(8-11)16(23)9-13(20-17)10-21-5-4-19-18(24)15(21)3-6-22/h7-9,15,22H,3-6,10H2,1-2H3,(H,19,24)(H,20,23)/t15-/m0/s1.
What are the key properties of 2-[[(2S)-2-(2-hydroxyethyl)-3-oxopiperazin-1-yl]methyl]-6,8-dimethyl-1H-quinolin-4-one?
2-[[(2S)-2-(2-hydroxyethyl)-3-oxopiperazin-1-yl]methyl]-6,8-dimethyl-1H-quinolin-4-one has a molecular weight of 329.40 g/mol, XLogP of 0.83, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-2-(2-hydroxyethyl)-3-oxopiperazin-1-yl]methyl]-6,8-dimethyl-1H-quinolin-4-one is sourced from PubChem (CID 125165953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).