5,8-dimethyl-2-[[4-(morpholine-4-carbonyl)piperazin-1-yl]methyl]-1H-quinolin-4-one

C21H28N4O3 — CID 72928303

IUPAC5,8-dimethyl-2-[[4-(morpholine-4-carbonyl)piperazin-1-yl]methyl]-1H-quinolin-4-one
SMILESCc1ccc(C)c2c(=O)cc(CN3CCN(C(=O)N4CCOCC4)CC3)[nH]c12
InChIInChI=1S/C21H28N4O3/c1-15-3-4-16(2)20-19(15)18(26)13-17(22-20)14-23-5-7-24(8-6-23)21(27)25-9-11-28-12-10-25/h3-4,13H,5-12,14H2,1-2H3,(H,22,26)
InChIKeyQARYTKCQQZMYQD-UHFFFAOYSA-N
MW384.48 g/mol
LogP1.71
Rot. Bonds2

About 5,8-dimethyl-2-[[4-(morpholine-4-carbonyl)piperazin-1-yl]methyl]-1H-quinolin-4-one

5,8-dimethyl-2-[[4-(morpholine-4-carbonyl)piperazin-1-yl]methyl]-1H-quinolin-4-one (PubChem CID 72928303) has the molecular formula C21H28N4O3 and a molecular weight of 384.48 g/mol. Its IUPAC name is 5,8-dimethyl-2-[[4-(morpholine-4-carbonyl)piperazin-1-yl]methyl]-1H-quinolin-4-one.

Molecular Properties

Compound Name5,8-dimethyl-2-[[4-(morpholine-4-carbonyl)piperazin-1-yl]methyl]-1H-quinolin-4-one
PubChem CID72928303
Molecular FormulaC21H28N4O3
Molecular Weight384.48 g/mol
Exact Mass384.22
IUPAC Name5,8-dimethyl-2-[[4-(morpholine-4-carbonyl)piperazin-1-yl]methyl]-1H-quinolin-4-one
SMILESCc1ccc(C)c2c(=O)cc(CN3CCN(C(=O)N4CCOCC4)CC3)[nH]c12
InChIInChI=1S/C21H28N4O3/c1-15-3-4-16(2)20-19(15)18(26)13-17(22-20)14-23-5-7-24(8-6-23)21(27)25-9-11-28-12-10-25/h3-4,13H,5-12,14H2,1-2H3,(H,22,26)
InChIKeyQARYTKCQQZMYQD-UHFFFAOYSA-N
XLogP1.71
TPSA68.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5,8-dimethyl-2-[[4-(morpholine-4-carbonyl)piperazin-1-yl]methyl]-1H-quinolin-4-one with MolForge

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Related Compounds

2-[[(6R)-4-acetyl-6-hydroxy-1,4-diazepan-1-yl]methyl]-5,8-dimethyl-1H-quinolin-4-one
CID 97133481
2-[(5,8-dimethyl-4-oxo-1H-quinolin-2-yl)methyl]-8-methyl-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one
CID 72940848
[4-[(3-methylphenyl)methyl]piperazin-1-yl]-morpholin-4-ylmethanone
CID 110398802
2-[[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-5,8-dimethyl-1H-quinolin-4-one
CID 72857594
5,8-dimethyl-2-[[(2S)-2-(piperidine-1-carbonyl)pyrrolidin-1-yl]methyl]-1H-quinolin-4-one
CID 72929932
(3,4-dimethylphenyl)-[4-(morpholine-4-carbonyl)piperazin-1-yl]methanone
CID 110365079
[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-morpholin-4-ylmethanone
CID 51074617
morpholin-4-yl-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanone
CID 31695814
[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-morpholin-4-ylmethanone
CID 31695976
[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]-morpholin-4-ylmethanone
CID 110638166
2-[[4-(4-methylbenzoyl)piperazin-1-yl]methyl]-1H-quinolin-4-one
CID 22580384
1-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-2-[4-(morpholine-4-carbonyl)piperazin-1-yl]ethanone
CID 55829978

Frequently Asked Questions

What is the IUPAC name of 5,8-dimethyl-2-[[4-(morpholine-4-carbonyl)piperazin-1-yl]methyl]-1H-quinolin-4-one?
The IUPAC name of 5,8-dimethyl-2-[[4-(morpholine-4-carbonyl)piperazin-1-yl]methyl]-1H-quinolin-4-one (CID 72928303) is 5,8-dimethyl-2-[[4-(morpholine-4-carbonyl)piperazin-1-yl]methyl]-1H-quinolin-4-one.
What is the SMILES notation for 5,8-dimethyl-2-[[4-(morpholine-4-carbonyl)piperazin-1-yl]methyl]-1H-quinolin-4-one?
The canonical SMILES for 5,8-dimethyl-2-[[4-(morpholine-4-carbonyl)piperazin-1-yl]methyl]-1H-quinolin-4-one is Cc1ccc(C)c2c(=O)cc(CN3CCN(C(=O)N4CCOCC4)CC3)[nH]c12.
What is the InChIKey of 5,8-dimethyl-2-[[4-(morpholine-4-carbonyl)piperazin-1-yl]methyl]-1H-quinolin-4-one?
The InChIKey is QARYTKCQQZMYQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O3/c1-15-3-4-16(2)20-19(15)18(26)13-17(22-20)14-23-5-7-24(8-6-23)21(27)25-9-11-28-12-10-25/h3-4,13H,5-12,14H2,1-2H3,(H,22,26).
What are the key properties of 5,8-dimethyl-2-[[4-(morpholine-4-carbonyl)piperazin-1-yl]methyl]-1H-quinolin-4-one?
5,8-dimethyl-2-[[4-(morpholine-4-carbonyl)piperazin-1-yl]methyl]-1H-quinolin-4-one has a molecular weight of 384.48 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-dimethyl-2-[[4-(morpholine-4-carbonyl)piperazin-1-yl]methyl]-1H-quinolin-4-one is sourced from PubChem (CID 72928303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).