5,6-dimethyl-3-[4-[2-[4-[[methyl(quinolin-6-ylmethyl)amino]methyl]phenoxy]ethyl]piperazine-1-carbonyl]-1H-pyridin-2-one

C32H37N5O3 — CID 45237459

IUPAC5,6-dimethyl-3-[4-[2-[4-[[methyl(quinolin-6-ylmethyl)amino]methyl]phenoxy]ethyl]piperazine-1-carbonyl]-1H-pyridin-2-one
SMILESCc1cc(C(=O)N2CCN(CCOc3ccc(CN(C)Cc4ccc5ncccc5c4)cc3)CC2)c(=O)[nH]c1C
InChIInChI=1S/C32H37N5O3/c1-23-19-29(31(38)34-24(23)2)32(39)37-15-13-36(14-16-37)17-18-40-28-9-6-25(7-10-28)21-35(3)22-26-8-11-30-27(20-26)5-4-12-33-30/h4-12,19-20H,13-18,21-22H2,1-3H3,(H,34,38)
InChIKeyNDHLLARDMYQGEY-UHFFFAOYSA-N
MW539.68 g/mol
LogP4.01
Rot. Bonds9

About 5,6-dimethyl-3-[4-[2-[4-[[methyl(quinolin-6-ylmethyl)amino]methyl]phenoxy]ethyl]piperazine-1-carbonyl]-1H-pyridin-2-one

5,6-dimethyl-3-[4-[2-[4-[[methyl(quinolin-6-ylmethyl)amino]methyl]phenoxy]ethyl]piperazine-1-carbonyl]-1H-pyridin-2-one (PubChem CID 45237459) has the molecular formula C32H37N5O3 and a molecular weight of 539.68 g/mol. Its IUPAC name is 5,6-dimethyl-3-[4-[2-[4-[[methyl(quinolin-6-ylmethyl)amino]methyl]phenoxy]ethyl]piperazine-1-carbonyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name5,6-dimethyl-3-[4-[2-[4-[[methyl(quinolin-6-ylmethyl)amino]methyl]phenoxy]ethyl]piperazine-1-carbonyl]-1H-pyridin-2-one
PubChem CID45237459
Molecular FormulaC32H37N5O3
Molecular Weight539.68 g/mol
Exact Mass539.29
IUPAC Name5,6-dimethyl-3-[4-[2-[4-[[methyl(quinolin-6-ylmethyl)amino]methyl]phenoxy]ethyl]piperazine-1-carbonyl]-1H-pyridin-2-one
SMILESCc1cc(C(=O)N2CCN(CCOc3ccc(CN(C)Cc4ccc5ncccc5c4)cc3)CC2)c(=O)[nH]c1C
InChIInChI=1S/C32H37N5O3/c1-23-19-29(31(38)34-24(23)2)32(39)37-15-13-36(14-16-37)17-18-40-28-9-6-25(7-10-28)21-35(3)22-26-8-11-30-27(20-26)5-4-12-33-30/h4-12,19-20H,13-18,21-22H2,1-3H3,(H,34,38)
InChIKeyNDHLLARDMYQGEY-UHFFFAOYSA-N
XLogP4.01
TPSA81.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500539.68
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5,6-dimethyl-3-[4-[2-[4-[[methyl(quinolin-6-ylmethyl)amino]methyl]phenoxy]ethyl]piperazine-1-carbonyl]-1H-pyridin-2-one with MolForge

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Launch Full Analysis

Related Compounds

[(2R)-1-methylpiperidin-2-yl]-[4-[2-[4-[[methyl(quinolin-6-ylmethyl)amino]methyl]phenoxy]ethyl]piperazin-1-yl]methanone
CID 26334496
N-methyl-N-(quinolin-6-ylmethyl)-1-[4-[2-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]ethoxy]phenyl]methanamine
CID 118758008
[4-[2-[4-[[1-benzothiophen-2-ylmethyl(methyl)amino]methyl]phenoxy]ethyl]piperazin-1-yl]-pyridin-4-ylmethanone
CID 26322409
[4-[2-[4-[[1-benzothiophen-2-ylmethyl(methyl)amino]methyl]phenoxy]ethyl]piperazin-1-yl]-quinolin-2-ylmethanone
CID 45244372
phenyl-[4-(3-quinolin-6-yloxypropyl)piperazin-1-yl]methanone
CID 45272100
[4-[2-[4-[[1-benzothiophen-2-ylmethyl(methyl)amino]methyl]phenoxy]ethyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 26280098
[4-[2-[(2-methyl-1H-indol-5-yl)oxy]ethyl]piperazin-1-yl]-quinolin-4-ylmethanone
CID 90683529
(2-hydroxyphenyl)-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]methanone
CID 31281275
[4-(2-phenoxyethyl)piperazin-1-yl]-quinolin-5-ylmethanone
CID 17455550
4-(2-quinolin-6-ylethyl)piperazine-1-carboxylic acid
CID 118666820
6-[3-[[3-[[methyl(quinolin-6-ylmethyl)amino]methyl]phenoxy]methyl]piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione
CID 45236897
5-[[methyl-[[3-[2-[4-(naphthalene-1-carbonyl)piperazin-1-yl]ethoxy]phenyl]methyl]amino]methyl]pyrrolidin-2-one
CID 45243902

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-3-[4-[2-[4-[[methyl(quinolin-6-ylmethyl)amino]methyl]phenoxy]ethyl]piperazine-1-carbonyl]-1H-pyridin-2-one?
The IUPAC name of 5,6-dimethyl-3-[4-[2-[4-[[methyl(quinolin-6-ylmethyl)amino]methyl]phenoxy]ethyl]piperazine-1-carbonyl]-1H-pyridin-2-one (CID 45237459) is 5,6-dimethyl-3-[4-[2-[4-[[methyl(quinolin-6-ylmethyl)amino]methyl]phenoxy]ethyl]piperazine-1-carbonyl]-1H-pyridin-2-one.
What is the SMILES notation for 5,6-dimethyl-3-[4-[2-[4-[[methyl(quinolin-6-ylmethyl)amino]methyl]phenoxy]ethyl]piperazine-1-carbonyl]-1H-pyridin-2-one?
The canonical SMILES for 5,6-dimethyl-3-[4-[2-[4-[[methyl(quinolin-6-ylmethyl)amino]methyl]phenoxy]ethyl]piperazine-1-carbonyl]-1H-pyridin-2-one is Cc1cc(C(=O)N2CCN(CCOc3ccc(CN(C)Cc4ccc5ncccc5c4)cc3)CC2)c(=O)[nH]c1C.
What is the InChIKey of 5,6-dimethyl-3-[4-[2-[4-[[methyl(quinolin-6-ylmethyl)amino]methyl]phenoxy]ethyl]piperazine-1-carbonyl]-1H-pyridin-2-one?
The InChIKey is NDHLLARDMYQGEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37N5O3/c1-23-19-29(31(38)34-24(23)2)32(39)37-15-13-36(14-16-37)17-18-40-28-9-6-25(7-10-28)21-35(3)22-26-8-11-30-27(20-26)5-4-12-33-30/h4-12,19-20H,13-18,21-22H2,1-3H3,(H,34,38).
What are the key properties of 5,6-dimethyl-3-[4-[2-[4-[[methyl(quinolin-6-ylmethyl)amino]methyl]phenoxy]ethyl]piperazine-1-carbonyl]-1H-pyridin-2-one?
5,6-dimethyl-3-[4-[2-[4-[[methyl(quinolin-6-ylmethyl)amino]methyl]phenoxy]ethyl]piperazine-1-carbonyl]-1H-pyridin-2-one has a molecular weight of 539.68 g/mol, XLogP of 4.01, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-3-[4-[2-[4-[[methyl(quinolin-6-ylmethyl)amino]methyl]phenoxy]ethyl]piperazine-1-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 45237459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).