6-chloro-4-oxo-5-[[4-(quinolin-2-ylmethoxy)phenyl]methoxy]chromene-2-carboxylic acid;2-[3-fluoro-4-[[4-(quinolin-2-ylmethoxy)phenyl]methoxy]phenyl]acetic acid;4-[3-fluoro-4-[[4-(quinolin-2-ylmethoxy)phenyl]methoxy]phenyl]-4-oxobutanoic acid;methane;2-[4-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetamide

C107H94ClF2N5O19 — CID 158062945

IUPAC6-chloro-4-oxo-5-[[4-(quinolin-2-ylmethoxy)phenyl]methoxy]chromene-2-carboxylic acid;2-[3-fluoro-4-[[4-(quinolin-2-ylmethoxy)phenyl]methoxy]phenyl]acetic acid;4-[3-fluoro-4-[[4-(quinolin-2-ylmethoxy)phenyl]methoxy]phenyl]-4-oxobutanoic acid;methane;2-[4-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetamide
SMILESC.C.C.NC(=O)COc1ccc(COc2ccc(OCc3ccc4ccccc4n3)cc2)cc1.O=C(O)CCC(=O)c1ccc(OCc2ccc(OCc3ccc4ccccc4n3)cc2)c(F)c1.O=C(O)Cc1ccc(OCc2ccc(OCc3ccc4ccccc4n3)cc2)c(F)c1.O=C(O)c1cc(=O)c2c(OCc3ccc(OCc4ccc5ccccc5n4)cc3)c(Cl)ccc2o1
InChIInChI=1S/C27H18ClNO6.C27H22FNO5.C25H20FNO4.C25H22N2O4.3CH4/c28-20-11-12-23-25(22(30)13-24(35-23)27(31)32)26(20)34-14-16-5-9-19(10-6-16)33-15-18-8-7-17-3-1-2-4-21(17)29-18;28-23-15-20(25(30)12-14-27(31)32)8-13-26(23)34-16-18-5-10-22(11-6-18)33-17-21-9-7-19-3-1-2-4-24(19)29-21;26-22-13-18(14-25(28)29)7-12-24(22)31-15-17-5-10-21(11-6-17)30-16-20-9-8-19-3-1-2-4-23(19)27-20;26-25(28)17-31-21-9-5-18(6-10-21)15-29-22-11-13-23(14-12-22)30-16-20-8-7-19-3-1-2-4-24(19)27-20;;;/h1-13H,14-15H2,(H,31,32);1-11,13,15H,12,14,16-17H2,(H,31,32);1-13H,14-16H2,(H,28,29);1-14H,15-17H2,(H2,26,28);3*1H4
InChIKeyFKWHRNHBUITILZ-UHFFFAOYSA-N
MW1827.39 g/mol
LogP22.75
Rot. Bonds34

About 6-chloro-4-oxo-5-[[4-(quinolin-2-ylmethoxy)phenyl]methoxy]chromene-2-carboxylic acid;2-[3-fluoro-4-[[4-(quinolin-2-ylmethoxy)phenyl]methoxy]phenyl]acetic acid;4-[3-fluoro-4-[[4-(quinolin-2-ylmethoxy)phenyl]methoxy]phenyl]-4-oxobutanoic acid;methane;2-[4-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetamide

6-chloro-4-oxo-5-[[4-(quinolin-2-ylmethoxy)phenyl]methoxy]chromene-2-carboxylic acid;2-[3-fluoro-4-[[4-(quinolin-2-ylmethoxy)phenyl]methoxy]phenyl]acetic acid;4-[3-fluoro-4-[[4-(quinolin-2-ylmethoxy)phenyl]methoxy]phenyl]-4-oxobutanoic acid;methane;2-[4-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetamide (PubChem CID 158062945) has the molecular formula C107H94ClF2N5O19 and a molecular weight of 1827.39 g/mol. Its IUPAC name is 6-chloro-4-oxo-5-[[4-(quinolin-2-ylmethoxy)phenyl]methoxy]chromene-2-carboxylic acid;2-[3-fluoro-4-[[4-(quinolin-2-ylmethoxy)phenyl]methoxy]phenyl]acetic acid;4-[3-fluoro-4-[[4-(quinolin-2-ylmethoxy)phenyl]methoxy]phenyl]-4-oxobutanoic acid;methane;2-[4-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetamide.

Molecular Properties

Compound Name6-chloro-4-oxo-5-[[4-(quinolin-2-ylmethoxy)phenyl]methoxy]chromene-2-carboxylic acid;2-[3-fluoro-4-[[4-(quinolin-2-ylmethoxy)phenyl]methoxy]phenyl]acetic acid;4-[3-fluoro-4-[[4-(quinolin-2-ylmethoxy)phenyl]methoxy]phenyl]-4-oxobutanoic acid;methane;2-[4-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetamide
PubChem CID158062945
Molecular FormulaC107H94ClF2N5O19
Molecular Weight1827.39 g/mol
Exact Mass1825.62
IUPAC Name6-chloro-4-oxo-5-[[4-(quinolin-2-ylmethoxy)phenyl]methoxy]chromene-2-carboxylic acid;2-[3-fluoro-4-[[4-(quinolin-2-ylmethoxy)phenyl]methoxy]phenyl]acetic acid;4-[3-fluoro-4-[[4-(quinolin-2-ylmethoxy)phenyl]methoxy]phenyl]-4-oxobutanoic acid;methane;2-[4-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetamide
SMILESC.C.C.NC(=O)COc1ccc(COc2ccc(OCc3ccc4ccccc4n3)cc2)cc1.O=C(O)CCC(=O)c1ccc(OCc2ccc(OCc3ccc4ccccc4n3)cc2)c(F)c1.O=C(O)Cc1ccc(OCc2ccc(OCc3ccc4ccccc4n3)cc2)c(F)c1.O=C(O)c1cc(=O)c2c(OCc3ccc(OCc4ccc5ccccc5n4)cc3)c(Cl)ccc2o1
InChIInChI=1S/C27H18ClNO6.C27H22FNO5.C25H20FNO4.C25H22N2O4.3CH4/c28-20-11-12-23-25(22(30)13-24(35-23)27(31)32)26(20)34-14-16-5-9-19(10-6-16)33-15-18-8-7-17-3-1-2-4-21(17)29-18;28-23-15-20(25(30)12-14-27(31)32)8-13-26(23)34-16-18-5-10-22(11-6-18)33-17-21-9-7-19-3-1-2-4-24(19)29-21;26-22-13-18(14-25(28)29)7-12-24(22)31-15-17-5-10-21(11-6-17)30-16-20-9-8-19-3-1-2-4-23(19)27-20;26-25(28)17-31-21-9-5-18(6-10-21)15-29-22-11-13-23(14-12-22)30-16-20-8-7-19-3-1-2-4-24(19)27-20;;;/h1-13H,14-15H2,(H,31,32);1-11,13,15H,12,14,16-17H2,(H,31,32);1-13H,14-16H2,(H,28,29);1-14H,15-17H2,(H2,26,28);3*1H4
InChIKeyFKWHRNHBUITILZ-UHFFFAOYSA-N
XLogP22.75
TPSA336.90 Ų
H-Bond Donors4
H-Bond Acceptors20
Rotatable Bonds34
Heavy Atoms134
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001827.39
LogP ≤ 522.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1020

Analyze 6-chloro-4-oxo-5-[[4-(quinolin-2-ylmethoxy)phenyl]methoxy]chromene-2-carboxylic acid;2-[3-fluoro-4-[[4-(quinolin-2-ylmethoxy)phenyl]methoxy]phenyl]acetic acid;4-[3-fluoro-4-[[4-(quinolin-2-ylmethoxy)phenyl]methoxy]phenyl]-4-oxobutanoic acid;methane;2-[4-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-oxo-5-[[4-(quinolin-2-ylmethoxy)phenyl]methoxy]chromene-2-carboxylic acid;2-[3-fluoro-4-[[4-(quinolin-2-ylmethoxy)phenyl]methoxy]phenyl]acetic acid;4-[3-fluoro-4-[[4-(quinolin-2-ylmethoxy)phenyl]methoxy]phenyl]-4-oxobutanoic acid;methane;2-[4-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetamide?
The IUPAC name of 6-chloro-4-oxo-5-[[4-(quinolin-2-ylmethoxy)phenyl]methoxy]chromene-2-carboxylic acid;2-[3-fluoro-4-[[4-(quinolin-2-ylmethoxy)phenyl]methoxy]phenyl]acetic acid;4-[3-fluoro-4-[[4-(quinolin-2-ylmethoxy)phenyl]methoxy]phenyl]-4-oxobutanoic acid;methane;2-[4-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetamide (CID 158062945) is 6-chloro-4-oxo-5-[[4-(quinolin-2-ylmethoxy)phenyl]methoxy]chromene-2-carboxylic acid;2-[3-fluoro-4-[[4-(quinolin-2-ylmethoxy)phenyl]methoxy]phenyl]acetic acid;4-[3-fluoro-4-[[4-(quinolin-2-ylmethoxy)phenyl]methoxy]phenyl]-4-oxobutanoic acid;methane;2-[4-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetamide.
What is the SMILES notation for 6-chloro-4-oxo-5-[[4-(quinolin-2-ylmethoxy)phenyl]methoxy]chromene-2-carboxylic acid;2-[3-fluoro-4-[[4-(quinolin-2-ylmethoxy)phenyl]methoxy]phenyl]acetic acid;4-[3-fluoro-4-[[4-(quinolin-2-ylmethoxy)phenyl]methoxy]phenyl]-4-oxobutanoic acid;methane;2-[4-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetamide?
The canonical SMILES for 6-chloro-4-oxo-5-[[4-(quinolin-2-ylmethoxy)phenyl]methoxy]chromene-2-carboxylic acid;2-[3-fluoro-4-[[4-(quinolin-2-ylmethoxy)phenyl]methoxy]phenyl]acetic acid;4-[3-fluoro-4-[[4-(quinolin-2-ylmethoxy)phenyl]methoxy]phenyl]-4-oxobutanoic acid;methane;2-[4-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetamide is C.C.C.NC(=O)COc1ccc(COc2ccc(OCc3ccc4ccccc4n3)cc2)cc1.O=C(O)CCC(=O)c1ccc(OCc2ccc(OCc3ccc4ccccc4n3)cc2)c(F)c1.O=C(O)Cc1ccc(OCc2ccc(OCc3ccc4ccccc4n3)cc2)c(F)c1.O=C(O)c1cc(=O)c2c(OCc3ccc(OCc4ccc5ccccc5n4)cc3)c(Cl)ccc2o1.
What is the InChIKey of 6-chloro-4-oxo-5-[[4-(quinolin-2-ylmethoxy)phenyl]methoxy]chromene-2-carboxylic acid;2-[3-fluoro-4-[[4-(quinolin-2-ylmethoxy)phenyl]methoxy]phenyl]acetic acid;4-[3-fluoro-4-[[4-(quinolin-2-ylmethoxy)phenyl]methoxy]phenyl]-4-oxobutanoic acid;methane;2-[4-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetamide?
The InChIKey is FKWHRNHBUITILZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18ClNO6.C27H22FNO5.C25H20FNO4.C25H22N2O4.3CH4/c28-20-11-12-23-25(22(30)13-24(35-23)27(31)32)26(20)34-14-16-5-9-19(10-6-16)33-15-18-8-7-17-3-1-2-4-21(17)29-18;28-23-15-20(25(30)12-14-27(31)32)8-13-26(23)34-16-18-5-10-22(11-6-18)33-17-21-9-7-19-3-1-2-4-24(19)29-21;26-22-13-18(14-25(28)29)7-12-24(22)31-15-17-5-10-21(11-6-17)30-16-20-9-8-19-3-1-2-4-23(19)27-20;26-25(28)17-31-21-9-5-18(6-10-21)15-29-22-11-13-23(14-12-22)30-16-20-8-7-19-3-1-2-4-24(19)27-20;;;/h1-13H,14-15H2,(H,31,32);1-11,13,15H,12,14,16-17H2,(H,31,32);1-13H,14-16H2,(H,28,29);1-14H,15-17H2,(H2,26,28);3*1H4.
What are the key properties of 6-chloro-4-oxo-5-[[4-(quinolin-2-ylmethoxy)phenyl]methoxy]chromene-2-carboxylic acid;2-[3-fluoro-4-[[4-(quinolin-2-ylmethoxy)phenyl]methoxy]phenyl]acetic acid;4-[3-fluoro-4-[[4-(quinolin-2-ylmethoxy)phenyl]methoxy]phenyl]-4-oxobutanoic acid;methane;2-[4-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetamide?
6-chloro-4-oxo-5-[[4-(quinolin-2-ylmethoxy)phenyl]methoxy]chromene-2-carboxylic acid;2-[3-fluoro-4-[[4-(quinolin-2-ylmethoxy)phenyl]methoxy]phenyl]acetic acid;4-[3-fluoro-4-[[4-(quinolin-2-ylmethoxy)phenyl]methoxy]phenyl]-4-oxobutanoic acid;methane;2-[4-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetamide has a molecular weight of 1827.39 g/mol, XLogP of 22.75, 34 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-oxo-5-[[4-(quinolin-2-ylmethoxy)phenyl]methoxy]chromene-2-carboxylic acid;2-[3-fluoro-4-[[4-(quinolin-2-ylmethoxy)phenyl]methoxy]phenyl]acetic acid;4-[3-fluoro-4-[[4-(quinolin-2-ylmethoxy)phenyl]methoxy]phenyl]-4-oxobutanoic acid;methane;2-[4-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetamide is sourced from PubChem (CID 158062945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).