3-methyl-2-[[3-(oxan-4-ylmethoxy)-5-(piperidine-1-carbonyl)phenoxy]methyl]-1H-quinolin-4-one

C29H34N2O5 — CID 59527269

IUPAC3-methyl-2-[[3-(oxan-4-ylmethoxy)-5-(piperidine-1-carbonyl)phenoxy]methyl]-1H-quinolin-4-one
SMILESCc1c(COc2cc(OCC3CCOCC3)cc(C(=O)N3CCCCC3)c2)[nH]c2ccccc2c1=O
InChIInChI=1S/C29H34N2O5/c1-20-27(30-26-8-4-3-7-25(26)28(20)32)19-36-24-16-22(29(33)31-11-5-2-6-12-31)15-23(17-24)35-18-21-9-13-34-14-10-21/h3-4,7-8,15-17,21H,2,5-6,9-14,18-19H2,1H3,(H,30,32)
InChIKeyNWVKAYFJJDSCLA-UHFFFAOYSA-N
MW490.60 g/mol
LogP4.85
Rot. Bonds7

About 3-methyl-2-[[3-(oxan-4-ylmethoxy)-5-(piperidine-1-carbonyl)phenoxy]methyl]-1H-quinolin-4-one

3-methyl-2-[[3-(oxan-4-ylmethoxy)-5-(piperidine-1-carbonyl)phenoxy]methyl]-1H-quinolin-4-one (PubChem CID 59527269) has the molecular formula C29H34N2O5 and a molecular weight of 490.60 g/mol. Its IUPAC name is 3-methyl-2-[[3-(oxan-4-ylmethoxy)-5-(piperidine-1-carbonyl)phenoxy]methyl]-1H-quinolin-4-one.

Molecular Properties

Compound Name3-methyl-2-[[3-(oxan-4-ylmethoxy)-5-(piperidine-1-carbonyl)phenoxy]methyl]-1H-quinolin-4-one
PubChem CID59527269
Molecular FormulaC29H34N2O5
Molecular Weight490.60 g/mol
Exact Mass490.25
IUPAC Name3-methyl-2-[[3-(oxan-4-ylmethoxy)-5-(piperidine-1-carbonyl)phenoxy]methyl]-1H-quinolin-4-one
SMILESCc1c(COc2cc(OCC3CCOCC3)cc(C(=O)N3CCCCC3)c2)[nH]c2ccccc2c1=O
InChIInChI=1S/C29H34N2O5/c1-20-27(30-26-8-4-3-7-25(26)28(20)32)19-36-24-16-22(29(33)31-11-5-2-6-12-31)15-23(17-24)35-18-21-9-13-34-14-10-21/h3-4,7-8,15-17,21H,2,5-6,9-14,18-19H2,1H3,(H,30,32)
InChIKeyNWVKAYFJJDSCLA-UHFFFAOYSA-N
XLogP4.85
TPSA80.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.60
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-methyl-2-[[3-(oxan-4-ylmethoxy)-5-(piperidine-1-carbonyl)phenoxy]methyl]-1H-quinolin-4-one with MolForge

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Related Compounds

2-[[3-(oxan-4-ylmethoxy)phenoxy]methyl]-3-propan-2-yl-1H-quinolin-4-one
CID 57392772
6-fluoro-3-methyl-2-[[3-(oxan-4-ylmethoxy)phenoxy]methyl]-1H-quinolin-4-one
CID 57394499
ethane;6-methoxy-3-methyl-2-[[3-(oxan-4-ylmethoxy)phenoxy]methyl]-1H-quinolin-4-one
CID 143781935
3-methyl-2-[[4-[2-(oxan-4-yl)ethyl]phenoxy]methyl]-1H-quinolin-4-one
CID 59527248
(3-methyl-4-oxo-1H-quinolin-2-yl)methyl morpholine-4-carboxylate
CID 59527158
[3-(cyclopentylmethoxy)phenyl]-piperidin-1-ylmethanone
CID 126671401
2-[[3-[2-(1-hydroxycyclopropyl)ethoxy]phenoxy]methyl]-3-methyl-1H-quinolin-4-one
CID 59527602
2-[[3-(3-hydroxy-3-methylbutoxy)phenoxy]methyl]-3-methyl-1H-quinolin-4-one
CID 25254019
[4-[[1-(3,5-dimethylbenzoyl)piperidin-3-yl]methoxy]phenyl]-morpholin-4-ylmethanone
CID 53150155
3-methyl-2-[4-(oxan-4-yloxy)phenyl]-1H-quinolin-4-one
CID 70685819
[3-[[1-(2-methylbenzoyl)piperidin-3-yl]methoxy]phenyl]-pyrrolidin-1-ylmethanone
CID 50847103
6-hydroxy-2-[4-(phenoxymethyl)piperidine-1-carbonyl]-1H-quinolin-4-one
CID 11530965

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[[3-(oxan-4-ylmethoxy)-5-(piperidine-1-carbonyl)phenoxy]methyl]-1H-quinolin-4-one?
The IUPAC name of 3-methyl-2-[[3-(oxan-4-ylmethoxy)-5-(piperidine-1-carbonyl)phenoxy]methyl]-1H-quinolin-4-one (CID 59527269) is 3-methyl-2-[[3-(oxan-4-ylmethoxy)-5-(piperidine-1-carbonyl)phenoxy]methyl]-1H-quinolin-4-one.
What is the SMILES notation for 3-methyl-2-[[3-(oxan-4-ylmethoxy)-5-(piperidine-1-carbonyl)phenoxy]methyl]-1H-quinolin-4-one?
The canonical SMILES for 3-methyl-2-[[3-(oxan-4-ylmethoxy)-5-(piperidine-1-carbonyl)phenoxy]methyl]-1H-quinolin-4-one is Cc1c(COc2cc(OCC3CCOCC3)cc(C(=O)N3CCCCC3)c2)[nH]c2ccccc2c1=O.
What is the InChIKey of 3-methyl-2-[[3-(oxan-4-ylmethoxy)-5-(piperidine-1-carbonyl)phenoxy]methyl]-1H-quinolin-4-one?
The InChIKey is NWVKAYFJJDSCLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N2O5/c1-20-27(30-26-8-4-3-7-25(26)28(20)32)19-36-24-16-22(29(33)31-11-5-2-6-12-31)15-23(17-24)35-18-21-9-13-34-14-10-21/h3-4,7-8,15-17,21H,2,5-6,9-14,18-19H2,1H3,(H,30,32).
What are the key properties of 3-methyl-2-[[3-(oxan-4-ylmethoxy)-5-(piperidine-1-carbonyl)phenoxy]methyl]-1H-quinolin-4-one?
3-methyl-2-[[3-(oxan-4-ylmethoxy)-5-(piperidine-1-carbonyl)phenoxy]methyl]-1H-quinolin-4-one has a molecular weight of 490.60 g/mol, XLogP of 4.85, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[[3-(oxan-4-ylmethoxy)-5-(piperidine-1-carbonyl)phenoxy]methyl]-1H-quinolin-4-one is sourced from PubChem (CID 59527269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).