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

C109H99ClN4O17 — CID 90933402

IUPAC3-[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
SMILESCC(=O)C(C)Oc1ccc(Cl)cc1COc1ccc(OCc2ccc3ccccc3n2)cc1.CC(=O)C(CCC(=O)O)Oc1cccc(COc2cccc(OCc3ccc4ccccc4n3)c2)c1.CC(=O)COc1c(C)cccc1COc1cccc(OCc2ccc3ccccc3n2)c1.CC(=O)Cc1ccccc1COc1ccc(OCc2ccc3ccccc3n2)cc1
InChIInChI=1S/C29H27NO6.C27H24ClNO4.C27H25NO4.C26H23NO3/c1-20(31)28(14-15-29(32)33)36-26-10-4-6-21(16-26)18-34-24-8-5-9-25(17-24)35-19-23-13-12-22-7-2-3-11-27(22)30-23;1-18(30)19(2)33-27-14-8-22(28)15-21(27)16-31-24-10-12-25(13-11-24)32-17-23-9-7-20-5-3-4-6-26(20)29-23;1-19-7-5-9-22(27(19)32-16-20(2)29)17-30-24-10-6-11-25(15-24)31-18-23-14-13-21-8-3-4-12-26(21)28-23;1-19(28)16-21-7-2-3-8-22(21)17-29-24-12-14-25(15-13-24)30-18-23-11-10-20-6-4-5-9-26(20)27-23/h2-13,16-17,28H,14-15,18-19H2,1H3,(H,32,33);3-15,19H,16-17H2,1-2H3;3-15H,16-18H2,1-2H3;2-15H,16-18H2,1H3
InChIKeyOCZGHGXCJQFCGP-UHFFFAOYSA-N
MW1772.45 g/mol
LogP23.19
Rot. Bonds38

About 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

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 (PubChem CID 90933402) has the molecular formula C109H99ClN4O17 and a molecular weight of 1772.45 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-[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
PubChem CID90933402
Molecular FormulaC109H99ClN4O17
Molecular Weight1772.45 g/mol
Exact Mass1770.67
IUPAC Name3-[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
SMILESCC(=O)C(C)Oc1ccc(Cl)cc1COc1ccc(OCc2ccc3ccccc3n2)cc1.CC(=O)C(CCC(=O)O)Oc1cccc(COc2cccc(OCc3ccc4ccccc4n3)c2)c1.CC(=O)COc1c(C)cccc1COc1cccc(OCc2ccc3ccccc3n2)c1.CC(=O)Cc1ccccc1COc1ccc(OCc2ccc3ccccc3n2)cc1
InChIInChI=1S/C29H27NO6.C27H24ClNO4.C27H25NO4.C26H23NO3/c1-20(31)28(14-15-29(32)33)36-26-10-4-6-21(16-26)18-34-24-8-5-9-25(17-24)35-19-23-13-12-22-7-2-3-11-27(22)30-23;1-18(30)19(2)33-27-14-8-22(28)15-21(27)16-31-24-10-12-25(13-11-24)32-17-23-9-7-20-5-3-4-6-26(20)29-23;1-19-7-5-9-22(27(19)32-16-20(2)29)17-30-24-10-6-11-25(15-24)31-18-23-14-13-21-8-3-4-12-26(21)28-23;1-19(28)16-21-7-2-3-8-22(21)17-29-24-12-14-25(15-13-24)30-18-23-11-10-20-6-4-5-9-26(20)27-23/h2-13,16-17,28H,14-15,18-19H2,1H3,(H,32,33);3-15,19H,16-17H2,1-2H3;3-15H,16-18H2,1-2H3;2-15H,16-18H2,1H3
InChIKeyOCZGHGXCJQFCGP-UHFFFAOYSA-N
XLogP23.19
TPSA258.67 Ų
H-Bond Donors1
H-Bond Acceptors20
Rotatable Bonds38
Heavy Atoms131
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001772.45
LogP ≤ 523.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1020

Analyze 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 with MolForge

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Related Compounds

2-[4-Chloro-2-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]-2-phenylacetic acid
CID 69831627
2-Methyl-3-[[2-methyl-3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzoic acid;3-[[2-methyl-4-(quinolin-2-ylmethoxy)phenoxy]methyl]benzoic acid
CID 70388533
2-Methyl-3-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzoic acid;2-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]benzoic acid
CID 70388720
[3-[[2-Methyl-4-(quinolin-2-ylmethoxy)phenoxy]methyl]benzoyl] 2-methyl-3-[[2-methyl-3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzoate
CID 88626066
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
2-[4-[[4-(Quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetic acid;3-[4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]prop-1-en-2-ol;1-[2-[2-[4-(quinolin-2-ylmethoxy)phenyl]ethyl]phenyl]propan-2-one;2-[2-[[4-(quinolin-2-ylmethoxy)phenyl]methyl]phenyl]acetic acid
CID 90758679
1-[4-chloro-2-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]propan-2-one;2-[[3-[(2-ethylphenyl)methoxy]phenoxy]methyl]quinoline;2-[2-[[4-[(8-fluoroquinolin-2-yl)methoxy]phenoxy]methyl]-6-methylphenoxy]pentanoic acid;2-[[3-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenyl]methyl]pentanoic acid;2-[[4-[(E)-2-[2-(2H-tetrazol-5-ylmethyl)phenyl]ethenyl]phenoxy]methyl]quinoline
CID 91060400
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
2-[2-Methyl-6-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]pentanoic acid;3-[3-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]hexan-2-one
CID 91130242
3-[2-Chloro-6-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]-5-methylhexan-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-chloro-6-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]-2-phenylacetic acid;5-methyl-3-[2-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]hexan-2-one
CID 91167107
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;3-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzoic acid
CID 91439871
1-[2-Chloro-6-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]propan-2-one;1-[3-fluoro-4-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]phenyl]pentane-1,4-dione;4-[3-fluoro-4-[[4-(quinolin-2-ylmethoxy)phenyl]methoxy]phenyl]pent-4-enoic acid;2-[2-methyl-6-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetic acid;3-[2-propyl-6-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]butan-2-one
CID 91525004

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(=O)C(C)Oc1ccc(Cl)cc1COc1ccc(OCc2ccc3ccccc3n2)cc1.CC(=O)C(CCC(=O)O)Oc1cccc(COc2cccc(OCc3ccc4ccccc4n3)c2)c1.CC(=O)COc1c(C)cccc1COc1cccc(OCc2ccc3ccccc3n2)c1.CC(=O)Cc1ccccc1COc1ccc(OCc2ccc3ccccc3n2)cc1.
What is the InChIKey of 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?
The InChIKey is OCZGHGXCJQFCGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27NO6.C27H24ClNO4.C27H25NO4.C26H23NO3/c1-20(31)28(14-15-29(32)33)36-26-10-4-6-21(16-26)18-34-24-8-5-9-25(17-24)35-19-23-13-12-22-7-2-3-11-27(22)30-23;1-18(30)19(2)33-27-14-8-22(28)15-21(27)16-31-24-10-12-25(13-11-24)32-17-23-9-7-20-5-3-4-6-26(20)29-23;1-19-7-5-9-22(27(19)32-16-20(2)29)17-30-24-10-6-11-25(15-24)31-18-23-14-13-21-8-3-4-12-26(21)28-23;1-19(28)16-21-7-2-3-8-22(21)17-29-24-12-14-25(15-13-24)30-18-23-11-10-20-6-4-5-9-26(20)27-23/h2-13,16-17,28H,14-15,18-19H2,1H3,(H,32,33);3-15,19H,16-17H2,1-2H3;3-15H,16-18H2,1-2H3;2-15H,16-18H2,1H3.
What are the key properties of 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?
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 has a molecular weight of 1772.45 g/mol, XLogP of 23.19, 38 rotatable bonds, 1 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 90933402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).