6-methoxy-3-methyl-2-[[3-(oxan-4-ylmethoxy)phenoxy]methyl]-1H-quinolin-4-one

C24H27NO5 — CID 57399711

IUPAC6-methoxy-3-methyl-2-[[3-(oxan-4-ylmethoxy)phenoxy]methyl]-1H-quinolin-4-one
SMILESCOc1ccc2[nH]c(COc3cccc(OCC4CCOCC4)c3)c(C)c(=O)c2c1
InChIInChI=1S/C24H27NO5/c1-16-23(25-22-7-6-18(27-2)13-21(22)24(16)26)15-30-20-5-3-4-19(12-20)29-14-17-8-10-28-11-9-17/h3-7,12-13,17H,8-11,14-15H2,1-2H3,(H,25,26)
InChIKeyQNAHKNKLDYYZQN-UHFFFAOYSA-N
MW409.48 g/mol
LogP4.23
Rot. Bonds7

About 6-methoxy-3-methyl-2-[[3-(oxan-4-ylmethoxy)phenoxy]methyl]-1H-quinolin-4-one

6-methoxy-3-methyl-2-[[3-(oxan-4-ylmethoxy)phenoxy]methyl]-1H-quinolin-4-one (PubChem CID 57399711) has the molecular formula C24H27NO5 and a molecular weight of 409.48 g/mol. Its IUPAC name is 6-methoxy-3-methyl-2-[[3-(oxan-4-ylmethoxy)phenoxy]methyl]-1H-quinolin-4-one.

Molecular Properties

Compound Name6-methoxy-3-methyl-2-[[3-(oxan-4-ylmethoxy)phenoxy]methyl]-1H-quinolin-4-one
PubChem CID57399711
Molecular FormulaC24H27NO5
Molecular Weight409.48 g/mol
Exact Mass409.19
IUPAC Name6-methoxy-3-methyl-2-[[3-(oxan-4-ylmethoxy)phenoxy]methyl]-1H-quinolin-4-one
SMILESCOc1ccc2[nH]c(COc3cccc(OCC4CCOCC4)c3)c(C)c(=O)c2c1
InChIInChI=1S/C24H27NO5/c1-16-23(25-22-7-6-18(27-2)13-21(22)24(16)26)15-30-20-5-3-4-19(12-20)29-14-17-8-10-28-11-9-17/h3-7,12-13,17H,8-11,14-15H2,1-2H3,(H,25,26)
InChIKeyQNAHKNKLDYYZQN-UHFFFAOYSA-N
XLogP4.23
TPSA69.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.48
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3-methyl-2-[[3-(oxan-4-ylmethoxy)phenoxy]methyl]-1H-quinolin-4-one?
The IUPAC name of 6-methoxy-3-methyl-2-[[3-(oxan-4-ylmethoxy)phenoxy]methyl]-1H-quinolin-4-one (CID 57399711) is 6-methoxy-3-methyl-2-[[3-(oxan-4-ylmethoxy)phenoxy]methyl]-1H-quinolin-4-one.
What is the SMILES notation for 6-methoxy-3-methyl-2-[[3-(oxan-4-ylmethoxy)phenoxy]methyl]-1H-quinolin-4-one?
The canonical SMILES for 6-methoxy-3-methyl-2-[[3-(oxan-4-ylmethoxy)phenoxy]methyl]-1H-quinolin-4-one is COc1ccc2[nH]c(COc3cccc(OCC4CCOCC4)c3)c(C)c(=O)c2c1.
What is the InChIKey of 6-methoxy-3-methyl-2-[[3-(oxan-4-ylmethoxy)phenoxy]methyl]-1H-quinolin-4-one?
The InChIKey is QNAHKNKLDYYZQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO5/c1-16-23(25-22-7-6-18(27-2)13-21(22)24(16)26)15-30-20-5-3-4-19(12-20)29-14-17-8-10-28-11-9-17/h3-7,12-13,17H,8-11,14-15H2,1-2H3,(H,25,26).
What are the key properties of 6-methoxy-3-methyl-2-[[3-(oxan-4-ylmethoxy)phenoxy]methyl]-1H-quinolin-4-one?
6-methoxy-3-methyl-2-[[3-(oxan-4-ylmethoxy)phenoxy]methyl]-1H-quinolin-4-one has a molecular weight of 409.48 g/mol, XLogP of 4.23, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3-methyl-2-[[3-(oxan-4-ylmethoxy)phenoxy]methyl]-1H-quinolin-4-one is sourced from PubChem (CID 57399711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).