6-[3-[[3-[[methyl(quinolin-6-ylmethyl)amino]methyl]phenoxy]methyl]piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione

C29H31N5O4 — CID 45236897

IUPAC6-[3-[[3-[[methyl(quinolin-6-ylmethyl)amino]methyl]phenoxy]methyl]piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione
SMILESCN(Cc1cccc(OCC2CCCN(C(=O)c3cc(=O)[nH]c(=O)[nH]3)C2)c1)Cc1ccc2ncccc2c1
InChIInChI=1S/C29H31N5O4/c1-33(17-21-9-10-25-23(13-21)7-3-11-30-25)16-20-5-2-8-24(14-20)38-19-22-6-4-12-34(18-22)28(36)26-15-27(35)32-29(37)31-26/h2-3,5,7-11,13-15,22H,4,6,12,16-19H2,1H3,(H2,31,32,35,37)
InChIKeyQRQNDLUZWQFWPT-UHFFFAOYSA-N
MW513.60 g/mol
LogP3.17
Rot. Bonds8

About 6-[3-[[3-[[methyl(quinolin-6-ylmethyl)amino]methyl]phenoxy]methyl]piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione

6-[3-[[3-[[methyl(quinolin-6-ylmethyl)amino]methyl]phenoxy]methyl]piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione (PubChem CID 45236897) has the molecular formula C29H31N5O4 and a molecular weight of 513.60 g/mol. Its IUPAC name is 6-[3-[[3-[[methyl(quinolin-6-ylmethyl)amino]methyl]phenoxy]methyl]piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[3-[[3-[[methyl(quinolin-6-ylmethyl)amino]methyl]phenoxy]methyl]piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione
PubChem CID45236897
Molecular FormulaC29H31N5O4
Molecular Weight513.60 g/mol
Exact Mass513.24
IUPAC Name6-[3-[[3-[[methyl(quinolin-6-ylmethyl)amino]methyl]phenoxy]methyl]piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione
SMILESCN(Cc1cccc(OCC2CCCN(C(=O)c3cc(=O)[nH]c(=O)[nH]3)C2)c1)Cc1ccc2ncccc2c1
InChIInChI=1S/C29H31N5O4/c1-33(17-21-9-10-25-23(13-21)7-3-11-30-25)16-20-5-2-8-24(14-20)38-19-22-6-4-12-34(18-22)28(36)26-15-27(35)32-29(37)31-26/h2-3,5,7-11,13-15,22H,4,6,12,16-19H2,1H3,(H2,31,32,35,37)
InChIKeyQRQNDLUZWQFWPT-UHFFFAOYSA-N
XLogP3.17
TPSA111.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.60
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-[3-[[3-[[methyl(quinolin-6-ylmethyl)amino]methyl]phenoxy]methyl]piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione with MolForge

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Related Compounds

imidazo[2,1-b][1,3]thiazol-6-yl-[3-[[3-[[methyl(quinolin-6-ylmethyl)amino]methyl]phenoxy]methyl]piperidin-1-yl]methanone
CID 45211254
2-(1,3-benzodioxol-5-yl)-1-[3-[[3-[[methyl(quinolin-6-ylmethyl)amino]methyl]phenoxy]methyl]piperidin-1-yl]ethanone
CID 45191026
(3-fluorophenyl)-[(3R)-3-[[3-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]phenoxy]methyl]piperidin-1-yl]methanone
CID 42368051
[(3R)-3-[[3-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]phenoxy]methyl]piperidin-1-yl]-(4-methylphenyl)methanone
CID 42162569
[3-[[4-[[methyl(naphthalen-1-ylmethyl)amino]methyl]phenoxy]methyl]piperidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 45181476
cyclohexyl-[(3S)-3-[[3-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]phenoxy]methyl]piperidin-1-yl]methanone
CID 42499458
1-[3-[(3-fluorophenoxy)methyl]piperidin-1-yl]-2-[methyl(pyridin-3-ylmethyl)amino]ethanone
CID 70770060
[(3R)-3-[[4-[[methyl(1,3-thiazol-2-ylmethyl)amino]methyl]phenoxy]methyl]piperidin-1-yl]-thiophen-2-ylmethanone
CID 42471308
[3-[[4-[[methyl(1,3-thiazol-2-ylmethyl)amino]methyl]phenoxy]methyl]piperidin-1-yl]-thiophen-2-ylmethanone
CID 45227605
[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[3-(quinolin-6-ylmethyl)piperidin-1-yl]methanone
CID 132767463
[(2R)-1-methylpiperidin-2-yl]-[4-[2-[4-[[methyl(quinolin-6-ylmethyl)amino]methyl]phenoxy]ethyl]piperazin-1-yl]methanone
CID 26334496
(2-methylpyrimidin-5-yl)-[(3S)-3-(quinolin-6-ylmethyl)piperidin-1-yl]methanone
CID 124966699

Frequently Asked Questions

What is the IUPAC name of 6-[3-[[3-[[methyl(quinolin-6-ylmethyl)amino]methyl]phenoxy]methyl]piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-[3-[[3-[[methyl(quinolin-6-ylmethyl)amino]methyl]phenoxy]methyl]piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione (CID 45236897) is 6-[3-[[3-[[methyl(quinolin-6-ylmethyl)amino]methyl]phenoxy]methyl]piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-[3-[[3-[[methyl(quinolin-6-ylmethyl)amino]methyl]phenoxy]methyl]piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-[3-[[3-[[methyl(quinolin-6-ylmethyl)amino]methyl]phenoxy]methyl]piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione is CN(Cc1cccc(OCC2CCCN(C(=O)c3cc(=O)[nH]c(=O)[nH]3)C2)c1)Cc1ccc2ncccc2c1.
What is the InChIKey of 6-[3-[[3-[[methyl(quinolin-6-ylmethyl)amino]methyl]phenoxy]methyl]piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione?
The InChIKey is QRQNDLUZWQFWPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N5O4/c1-33(17-21-9-10-25-23(13-21)7-3-11-30-25)16-20-5-2-8-24(14-20)38-19-22-6-4-12-34(18-22)28(36)26-15-27(35)32-29(37)31-26/h2-3,5,7-11,13-15,22H,4,6,12,16-19H2,1H3,(H2,31,32,35,37).
What are the key properties of 6-[3-[[3-[[methyl(quinolin-6-ylmethyl)amino]methyl]phenoxy]methyl]piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione?
6-[3-[[3-[[methyl(quinolin-6-ylmethyl)amino]methyl]phenoxy]methyl]piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione has a molecular weight of 513.60 g/mol, XLogP of 3.17, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[[3-[[methyl(quinolin-6-ylmethyl)amino]methyl]phenoxy]methyl]piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 45236897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).