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

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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).