1-methyl-6-[4-(1-methylpiperidin-4-yl)piperazine-1-carbonyl]quinolin-2-one

C21H28N4O2 — CID 50840864

IUPAC1-methyl-6-[4-(1-methylpiperidin-4-yl)piperazine-1-carbonyl]quinolin-2-one
SMILESCN1CCC(N2CCN(C(=O)c3ccc4c(ccc(=O)n4C)c3)CC2)CC1
InChIInChI=1S/C21H28N4O2/c1-22-9-7-18(8-10-22)24-11-13-25(14-12-24)21(27)17-3-5-19-16(15-17)4-6-20(26)23(19)2/h3-6,15,18H,7-14H2,1-2H3
InChIKeyQJWAAAVSINPQIO-UHFFFAOYSA-N
MW368.48 g/mol
LogP1.39
Rot. Bonds2

About 1-methyl-6-[4-(1-methylpiperidin-4-yl)piperazine-1-carbonyl]quinolin-2-one

1-methyl-6-[4-(1-methylpiperidin-4-yl)piperazine-1-carbonyl]quinolin-2-one (PubChem CID 50840864) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is 1-methyl-6-[4-(1-methylpiperidin-4-yl)piperazine-1-carbonyl]quinolin-2-one.

Molecular Properties

Compound Name1-methyl-6-[4-(1-methylpiperidin-4-yl)piperazine-1-carbonyl]quinolin-2-one
PubChem CID50840864
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC Name1-methyl-6-[4-(1-methylpiperidin-4-yl)piperazine-1-carbonyl]quinolin-2-one
SMILESCN1CCC(N2CCN(C(=O)c3ccc4c(ccc(=O)n4C)c3)CC2)CC1
InChIInChI=1S/C21H28N4O2/c1-22-9-7-18(8-10-22)24-11-13-25(14-12-24)21(27)17-3-5-19-16(15-17)4-6-20(26)23(19)2/h3-6,15,18H,7-14H2,1-2H3
InChIKeyQJWAAAVSINPQIO-UHFFFAOYSA-N
XLogP1.39
TPSA48.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-methyl-6-[4-(1-methylpiperidin-4-yl)piperazine-1-carbonyl]quinolin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-methyl-7-[4-(1-methylpiperidin-4-yl)piperazine-1-carbonyl]pyrazolo[1,5-a]quinoxalin-4-one
CID 53186536
(4-cyclopropylpiperazin-1-yl)-naphthalen-2-ylmethanone
CID 35280934
(3-chlorophenyl)-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]methanone
CID 3824852
(4-cyclobutylpiperazin-1-yl)-[1-(2-methoxypyrimidin-5-yl)indol-5-yl]methanone
CID 141186265
9-[4-(1-methylpiperidin-4-yl)piperazine-1-carbonyl]-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-5-one
CID 42606245
[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-(4-pyrazin-2-ylphenyl)methanone
CID 119059947
(3-chlorophenyl)-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]methanone;oxalic acid
CID 17369257
(4-cyclopentylpiperazin-1-yl)-[1-[3-(2-methylpiperidin-1-yl)propyl]indol-5-yl]methanone
CID 68624872
2-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]phenyl]guanidine
CID 123698522
6-[4-(4-cyclopentylpiperazine-1-carbonyl)phenyl]-2-methylpyridazin-3-one
CID 44539765
5-(4-cyclopropylpiperazine-1-carbonyl)-1H-pyridin-2-one
CID 47268320
ethyl 4-[4-(3,4-dimethylbenzoyl)piperazin-1-yl]piperidine-1-carboxylate
CID 113074667

Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-[4-(1-methylpiperidin-4-yl)piperazine-1-carbonyl]quinolin-2-one?
The IUPAC name of 1-methyl-6-[4-(1-methylpiperidin-4-yl)piperazine-1-carbonyl]quinolin-2-one (CID 50840864) is 1-methyl-6-[4-(1-methylpiperidin-4-yl)piperazine-1-carbonyl]quinolin-2-one.
What is the SMILES notation for 1-methyl-6-[4-(1-methylpiperidin-4-yl)piperazine-1-carbonyl]quinolin-2-one?
The canonical SMILES for 1-methyl-6-[4-(1-methylpiperidin-4-yl)piperazine-1-carbonyl]quinolin-2-one is CN1CCC(N2CCN(C(=O)c3ccc4c(ccc(=O)n4C)c3)CC2)CC1.
What is the InChIKey of 1-methyl-6-[4-(1-methylpiperidin-4-yl)piperazine-1-carbonyl]quinolin-2-one?
The InChIKey is QJWAAAVSINPQIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O2/c1-22-9-7-18(8-10-22)24-11-13-25(14-12-24)21(27)17-3-5-19-16(15-17)4-6-20(26)23(19)2/h3-6,15,18H,7-14H2,1-2H3.
What are the key properties of 1-methyl-6-[4-(1-methylpiperidin-4-yl)piperazine-1-carbonyl]quinolin-2-one?
1-methyl-6-[4-(1-methylpiperidin-4-yl)piperazine-1-carbonyl]quinolin-2-one has a molecular weight of 368.48 g/mol, XLogP of 1.39, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-[4-(1-methylpiperidin-4-yl)piperazine-1-carbonyl]quinolin-2-one is sourced from PubChem (CID 50840864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).