3-[2-chloro-6-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]butan-2-one;3-[2-chloro-6-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]butan-2-one;3-[2-chloro-6-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]hexan-2-one;3-[2-chloro-6-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]-5-methylhexan-2-one

C113H106Cl4N4O16 — CID 90710545

IUPAC3-[2-chloro-6-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]butan-2-one;3-[2-chloro-6-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]butan-2-one;3-[2-chloro-6-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]hexan-2-one;3-[2-chloro-6-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]-5-methylhexan-2-one
SMILESCC(=O)C(C)Oc1c(Cl)cccc1COc1ccc(OCc2ccc3ccccc3n2)cc1.CC(=O)C(C)Oc1c(Cl)cccc1COc1cccc(OCc2ccc3ccccc3n2)c1.CC(=O)C(CC(C)C)Oc1c(Cl)cccc1COc1cccc(OCc2ccc3ccccc3n2)c1.CCCC(Oc1c(Cl)cccc1COc1cccc(OCc2ccc3ccccc3n2)c1)C(C)=O
InChIInChI=1S/C30H30ClNO4.C29H28ClNO4.2C27H24ClNO4/c1-20(2)16-29(21(3)33)36-30-23(9-6-12-27(30)31)18-34-25-10-7-11-26(17-25)35-19-24-15-14-22-8-4-5-13-28(22)32-24;1-3-8-28(20(2)32)35-29-22(10-6-13-26(29)30)18-33-24-11-7-12-25(17-24)34-19-23-16-15-21-9-4-5-14-27(21)31-23;1-18(30)19(2)33-27-21(8-5-11-25(27)28)16-31-23-9-6-10-24(15-23)32-17-22-14-13-20-7-3-4-12-26(20)29-22;1-18(30)19(2)33-27-21(7-5-8-25(27)28)16-31-23-12-14-24(15-13-23)32-17-22-11-10-20-6-3-4-9-26(20)29-22/h4-15,17,20,29H,16,18-19H2,1-3H3;4-7,9-17,28H,3,8,18-19H2,1-2H3;2*3-15,19H,16-17H2,1-2H3
InChIKeyKYGOWGKAWBBVGY-UHFFFAOYSA-N
MW1917.91 g/mol
LogP27.42
Rot. Bonds40

About 3-[2-chloro-6-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]butan-2-one;3-[2-chloro-6-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]butan-2-one;3-[2-chloro-6-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]hexan-2-one;3-[2-chloro-6-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]-5-methylhexan-2-one

3-[2-chloro-6-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]butan-2-one;3-[2-chloro-6-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]butan-2-one;3-[2-chloro-6-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]hexan-2-one;3-[2-chloro-6-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]-5-methylhexan-2-one (PubChem CID 90710545) has the molecular formula C113H106Cl4N4O16 and a molecular weight of 1917.91 g/mol. Its IUPAC name is 3-[2-chloro-6-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]butan-2-one;3-[2-chloro-6-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]butan-2-one;3-[2-chloro-6-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]hexan-2-one;3-[2-chloro-6-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]-5-methylhexan-2-one.

Molecular Properties

Compound Name3-[2-chloro-6-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]butan-2-one;3-[2-chloro-6-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]butan-2-one;3-[2-chloro-6-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]hexan-2-one;3-[2-chloro-6-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]-5-methylhexan-2-one
PubChem CID90710545
Molecular FormulaC113H106Cl4N4O16
Molecular Weight1917.91 g/mol
Exact Mass1914.64
IUPAC Name3-[2-chloro-6-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]butan-2-one;3-[2-chloro-6-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]butan-2-one;3-[2-chloro-6-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]hexan-2-one;3-[2-chloro-6-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]-5-methylhexan-2-one
SMILESCC(=O)C(C)Oc1c(Cl)cccc1COc1ccc(OCc2ccc3ccccc3n2)cc1.CC(=O)C(C)Oc1c(Cl)cccc1COc1cccc(OCc2ccc3ccccc3n2)c1.CC(=O)C(CC(C)C)Oc1c(Cl)cccc1COc1cccc(OCc2ccc3ccccc3n2)c1.CCCC(Oc1c(Cl)cccc1COc1cccc(OCc2ccc3ccccc3n2)c1)C(C)=O
InChIInChI=1S/C30H30ClNO4.C29H28ClNO4.2C27H24ClNO4/c1-20(2)16-29(21(3)33)36-30-23(9-6-12-27(30)31)18-34-25-10-7-11-26(17-25)35-19-24-15-14-22-8-4-5-13-28(22)32-24;1-3-8-28(20(2)32)35-29-22(10-6-13-26(29)30)18-33-24-11-7-12-25(17-24)34-19-23-16-15-21-9-4-5-14-27(21)31-23;1-18(30)19(2)33-27-21(8-5-11-25(27)28)16-31-23-9-6-10-24(15-23)32-17-22-14-13-20-7-3-4-12-26(20)29-22;1-18(30)19(2)33-27-21(7-5-8-25(27)28)16-31-23-12-14-24(15-13-23)32-17-22-11-10-20-6-3-4-9-26(20)29-22/h4-15,17,20,29H,16,18-19H2,1-3H3;4-7,9-17,28H,3,8,18-19H2,1-2H3;2*3-15,19H,16-17H2,1-2H3
InChIKeyKYGOWGKAWBBVGY-UHFFFAOYSA-N
XLogP27.42
TPSA230.60 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds40
Heavy Atoms137
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001917.91
LogP ≤ 527.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Analyze 3-[2-chloro-6-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]butan-2-one;3-[2-chloro-6-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]butan-2-one;3-[2-chloro-6-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]hexan-2-one;3-[2-chloro-6-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]-5-methylhexan-2-one with MolForge

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Related Compounds

2-[2-Chloro-6-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]pentanoic acid
CID 9805659
2-[2-Chloro-6-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]-4-methylpentanoic acid
CID 9892405
1-[2-Chloro-6-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]propan-2-one
CID 18727373
3-[2-Chloro-6-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]-5-methylhexan-2-one
CID 18727407
3-[2-Chloro-6-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]butan-2-one
CID 18727408
3-[2-Chloro-6-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]hexan-2-one
CID 18727409
3-[2-Chloro-6-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]-5-methylhexan-2-one
CID 18727410
3-[2-Chloro-6-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]butan-2-one
CID 18727411
3-[4-Chloro-2-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]-5-methylhexan-2-one
CID 18727417
3-[4-Chloro-2-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]butan-2-one;1-[2-methyl-6-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]propan-2-one;5-oxo-4-[3-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]hexanoic acid;1-[2-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenyl]propan-2-one
CID 90933402
3-[2-Chloro-6-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]hexan-2-one;3-[4-chloro-2-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]-5-methylhexan-2-one;2-[2-chloro-6-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]-2-phenylacetic acid;2-[2-methyl-6-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]pentanoic acid;1-[3-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenyl]ethenol
CID 91100650
3-[2-chloro-6-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]butan-2-one;3-[2-chloro-6-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]-5-methylhexan-2-one;3-[[3-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenyl]methyl]hexan-2-one;2-[[3-[[2-(2H-tetrazol-3-ium-3-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline
CID 91163161

Frequently Asked Questions

What is the IUPAC name of 3-[2-chloro-6-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]butan-2-one;3-[2-chloro-6-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]butan-2-one;3-[2-chloro-6-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]hexan-2-one;3-[2-chloro-6-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]-5-methylhexan-2-one?
The IUPAC name of 3-[2-chloro-6-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]butan-2-one;3-[2-chloro-6-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]butan-2-one;3-[2-chloro-6-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]hexan-2-one;3-[2-chloro-6-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]-5-methylhexan-2-one (CID 90710545) is 3-[2-chloro-6-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]butan-2-one;3-[2-chloro-6-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]butan-2-one;3-[2-chloro-6-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]hexan-2-one;3-[2-chloro-6-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]-5-methylhexan-2-one.
What is the SMILES notation for 3-[2-chloro-6-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]butan-2-one;3-[2-chloro-6-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]butan-2-one;3-[2-chloro-6-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]hexan-2-one;3-[2-chloro-6-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]-5-methylhexan-2-one?
The canonical SMILES for 3-[2-chloro-6-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]butan-2-one;3-[2-chloro-6-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]butan-2-one;3-[2-chloro-6-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]hexan-2-one;3-[2-chloro-6-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]-5-methylhexan-2-one is CC(=O)C(C)Oc1c(Cl)cccc1COc1ccc(OCc2ccc3ccccc3n2)cc1.CC(=O)C(C)Oc1c(Cl)cccc1COc1cccc(OCc2ccc3ccccc3n2)c1.CC(=O)C(CC(C)C)Oc1c(Cl)cccc1COc1cccc(OCc2ccc3ccccc3n2)c1.CCCC(Oc1c(Cl)cccc1COc1cccc(OCc2ccc3ccccc3n2)c1)C(C)=O.
What is the InChIKey of 3-[2-chloro-6-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]butan-2-one;3-[2-chloro-6-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]butan-2-one;3-[2-chloro-6-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]hexan-2-one;3-[2-chloro-6-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]-5-methylhexan-2-one?
The InChIKey is KYGOWGKAWBBVGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30ClNO4.C29H28ClNO4.2C27H24ClNO4/c1-20(2)16-29(21(3)33)36-30-23(9-6-12-27(30)31)18-34-25-10-7-11-26(17-25)35-19-24-15-14-22-8-4-5-13-28(22)32-24;1-3-8-28(20(2)32)35-29-22(10-6-13-26(29)30)18-33-24-11-7-12-25(17-24)34-19-23-16-15-21-9-4-5-14-27(21)31-23;1-18(30)19(2)33-27-21(8-5-11-25(27)28)16-31-23-9-6-10-24(15-23)32-17-22-14-13-20-7-3-4-12-26(20)29-22;1-18(30)19(2)33-27-21(7-5-8-25(27)28)16-31-23-12-14-24(15-13-23)32-17-22-11-10-20-6-3-4-9-26(20)29-22/h4-15,17,20,29H,16,18-19H2,1-3H3;4-7,9-17,28H,3,8,18-19H2,1-2H3;2*3-15,19H,16-17H2,1-2H3.
What are the key properties of 3-[2-chloro-6-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]butan-2-one;3-[2-chloro-6-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]butan-2-one;3-[2-chloro-6-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]hexan-2-one;3-[2-chloro-6-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]-5-methylhexan-2-one?
3-[2-chloro-6-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]butan-2-one;3-[2-chloro-6-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]butan-2-one;3-[2-chloro-6-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]hexan-2-one;3-[2-chloro-6-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]-5-methylhexan-2-one has a molecular weight of 1917.91 g/mol, XLogP of 27.42, 40 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-chloro-6-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]butan-2-one;3-[2-chloro-6-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]butan-2-one;3-[2-chloro-6-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]hexan-2-one;3-[2-chloro-6-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]-5-methylhexan-2-one is sourced from PubChem (CID 90710545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).