[6-acetyl-2-propyl-3-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]phenyl]methyl hydrogen carbonate;2-[2-[[4-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenoxy]methyl]phenoxy]propanoic acid;2-[2-[[4-[(7-chloroquinolin-2-yl)methoxy]phenoxy]methyl]phenoxy]propanoic acid;methane;2-[2-[[4-[(E)-2-quinolin-2-ylethenyl]phenoxy]methyl]phenyl]acetic acid;(E)-3-[2-[[4-[(E)-2-quinolin-2-ylethenyl]phenoxy]methyl]phenyl]prop-2-enoic acid;2-[2-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetic acid;2-[3-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetic acid;2-[2-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenyl]acetic acid;2-[2-[4-[[2-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]phenyl]ethyl]quinoline

C246H237Cl2N13O36 — CID 158720036

IUPAC[6-acetyl-2-propyl-3-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]phenyl]methyl hydrogen carbonate;2-[2-[[4-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenoxy]methyl]phenoxy]propanoic acid;2-[2-[[4-[(7-chloroquinolin-2-yl)methoxy]phenoxy]methyl]phenoxy]propanoic acid;methane;2-[2-[[4-[(E)-2-quinolin-2-ylethenyl]phenoxy]methyl]phenyl]acetic acid;(E)-3-[2-[[4-[(E)-2-quinolin-2-ylethenyl]phenoxy]methyl]phenyl]prop-2-enoic acid;2-[2-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetic acid;2-[3-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetic acid;2-[2-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenyl]acetic acid;2-[2-[4-[[2-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]phenyl]ethyl]quinoline
SMILESC.C.C.C.C.C.C.C.C.CC(Oc1ccccc1COc1ccc(/C=C/c2ccc3ccc(Cl)cc3n2)cc1)C(=O)O.CC(Oc1ccccc1COc1ccc(OCc2ccc3ccc(Cl)cc3n2)cc1)C(=O)O.CCCc1c(OCc2cccc(OCc3ccc4ccccc4n3)c2)ccc(C(C)=O)c1COC(=O)O.O=C(O)/C=C/c1ccccc1COc1ccc(/C=C/c2ccc3ccccc3n2)cc1.O=C(O)COc1cccc(COc2cccc(OCc3ccc4ccccc4n3)c2)c1.O=C(O)COc1ccccc1COc1ccc(OCc2ccc3ccccc3n2)cc1.O=C(O)Cc1ccccc1COc1ccc(/C=C/c2ccc3ccccc3n2)cc1.O=C(O)Cc1ccccc1COc1ccc(OCc2ccc3ccccc3n2)cc1.c1ccc(Cc2nn[nH]n2)c(COc2ccc(CCc3ccc4ccccc4n3)cc2)c1
InChIInChI=1S/C30H29NO6.C27H22ClNO4.C27H21NO3.C26H22ClNO5.C26H23N5O.C26H21NO3.2C25H21NO5.C25H21NO4.9CH4/c1-3-7-26-27(19-37-30(33)34)25(20(2)32)14-15-29(26)36-17-21-8-6-10-24(16-21)35-18-23-13-12-22-9-4-5-11-28(22)31-23;1-18(27(30)31)33-26-5-3-2-4-21(26)17-32-24-14-7-19(8-15-24)6-12-23-13-10-20-9-11-22(28)16-25(20)29-23;29-27(30)18-13-21-5-1-2-7-23(21)19-31-25-16-10-20(11-17-25)9-14-24-15-12-22-6-3-4-8-26(22)28-24;1-17(26(29)30)33-25-5-3-2-4-19(25)15-31-22-10-12-23(13-11-22)32-16-21-9-7-18-6-8-20(27)14-24(18)28-21;1-2-7-22(21(6-1)17-26-28-30-31-29-26)18-32-24-15-10-19(11-16-24)9-13-23-14-12-20-5-3-4-8-25(20)27-23;28-26(29)17-21-6-1-2-7-22(21)18-30-24-15-10-19(11-16-24)9-13-23-14-12-20-5-3-4-8-25(20)27-23;27-25(28)17-31-24-8-4-2-6-19(24)15-29-21-11-13-22(14-12-21)30-16-20-10-9-18-5-1-3-7-23(18)26-20;27-25(28)17-31-21-7-3-5-18(13-21)15-29-22-8-4-9-23(14-22)30-16-20-12-11-19-6-1-2-10-24(19)26-20;27-25(28)15-19-6-1-2-7-20(19)16-29-22-11-13-23(14-12-22)30-17-21-10-9-18-5-3-4-8-24(18)26-21;;;;;;;;;/h4-6,8-16H,3,7,17-19H2,1-2H3,(H,33,34);2-16,18H,17H2,1H3,(H,30,31);1-18H,19H2,(H,29,30);2-14,17H,15-16H2,1H3,(H,29,30);1-8,10-12,14-16H,9,13,17-18H2,(H,28,29,30,31);1-16H,17-18H2,(H,28,29);2*1-14H,15-17H2,(H,27,28);1-14H,15-17H2,(H,27,28);9*1H4/b;12-6+;14-9+,18-13+;;;13-9+;;;;;;;;;;;;
InChIKeyIJUKCOKSKRKMNF-WSDBYTDWSA-N
MW4022.56 g/mol
LogP55.98
Rot. Bonds76

About [6-acetyl-2-propyl-3-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]phenyl]methyl hydrogen carbonate;2-[2-[[4-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenoxy]methyl]phenoxy]propanoic acid;2-[2-[[4-[(7-chloroquinolin-2-yl)methoxy]phenoxy]methyl]phenoxy]propanoic acid;methane;2-[2-[[4-[(E)-2-quinolin-2-ylethenyl]phenoxy]methyl]phenyl]acetic acid;(E)-3-[2-[[4-[(E)-2-quinolin-2-ylethenyl]phenoxy]methyl]phenyl]prop-2-enoic acid;2-[2-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetic acid;2-[3-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetic acid;2-[2-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenyl]acetic acid;2-[2-[4-[[2-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]phenyl]ethyl]quinoline

[6-acetyl-2-propyl-3-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]phenyl]methyl hydrogen carbonate;2-[2-[[4-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenoxy]methyl]phenoxy]propanoic acid;2-[2-[[4-[(7-chloroquinolin-2-yl)methoxy]phenoxy]methyl]phenoxy]propanoic acid;methane;2-[2-[[4-[(E)-2-quinolin-2-ylethenyl]phenoxy]methyl]phenyl]acetic acid;(E)-3-[2-[[4-[(E)-2-quinolin-2-ylethenyl]phenoxy]methyl]phenyl]prop-2-enoic acid;2-[2-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetic acid;2-[3-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetic acid;2-[2-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenyl]acetic acid;2-[2-[4-[[2-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]phenyl]ethyl]quinoline (PubChem CID 158720036) has the molecular formula C246H237Cl2N13O36 and a molecular weight of 4022.56 g/mol. Its IUPAC name is [6-acetyl-2-propyl-3-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]phenyl]methyl hydrogen carbonate;2-[2-[[4-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenoxy]methyl]phenoxy]propanoic acid;2-[2-[[4-[(7-chloroquinolin-2-yl)methoxy]phenoxy]methyl]phenoxy]propanoic acid;methane;2-[2-[[4-[(E)-2-quinolin-2-ylethenyl]phenoxy]methyl]phenyl]acetic acid;(E)-3-[2-[[4-[(E)-2-quinolin-2-ylethenyl]phenoxy]methyl]phenyl]prop-2-enoic acid;2-[2-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetic acid;2-[3-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetic acid;2-[2-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenyl]acetic acid;2-[2-[4-[[2-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]phenyl]ethyl]quinoline.

Molecular Properties

Compound Name[6-acetyl-2-propyl-3-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]phenyl]methyl hydrogen carbonate;2-[2-[[4-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenoxy]methyl]phenoxy]propanoic acid;2-[2-[[4-[(7-chloroquinolin-2-yl)methoxy]phenoxy]methyl]phenoxy]propanoic acid;methane;2-[2-[[4-[(E)-2-quinolin-2-ylethenyl]phenoxy]methyl]phenyl]acetic acid;(E)-3-[2-[[4-[(E)-2-quinolin-2-ylethenyl]phenoxy]methyl]phenyl]prop-2-enoic acid;2-[2-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetic acid;2-[3-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetic acid;2-[2-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenyl]acetic acid;2-[2-[4-[[2-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]phenyl]ethyl]quinoline
PubChem CID158720036
Molecular FormulaC246H237Cl2N13O36
Molecular Weight4022.56 g/mol
Exact Mass4018.65
IUPAC Name[6-acetyl-2-propyl-3-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]phenyl]methyl hydrogen carbonate;2-[2-[[4-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenoxy]methyl]phenoxy]propanoic acid;2-[2-[[4-[(7-chloroquinolin-2-yl)methoxy]phenoxy]methyl]phenoxy]propanoic acid;methane;2-[2-[[4-[(E)-2-quinolin-2-ylethenyl]phenoxy]methyl]phenyl]acetic acid;(E)-3-[2-[[4-[(E)-2-quinolin-2-ylethenyl]phenoxy]methyl]phenyl]prop-2-enoic acid;2-[2-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetic acid;2-[3-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetic acid;2-[2-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenyl]acetic acid;2-[2-[4-[[2-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]phenyl]ethyl]quinoline
SMILESC.C.C.C.C.C.C.C.C.CC(Oc1ccccc1COc1ccc(/C=C/c2ccc3ccc(Cl)cc3n2)cc1)C(=O)O.CC(Oc1ccccc1COc1ccc(OCc2ccc3ccc(Cl)cc3n2)cc1)C(=O)O.CCCc1c(OCc2cccc(OCc3ccc4ccccc4n3)c2)ccc(C(C)=O)c1COC(=O)O.O=C(O)/C=C/c1ccccc1COc1ccc(/C=C/c2ccc3ccccc3n2)cc1.O=C(O)COc1cccc(COc2cccc(OCc3ccc4ccccc4n3)c2)c1.O=C(O)COc1ccccc1COc1ccc(OCc2ccc3ccccc3n2)cc1.O=C(O)Cc1ccccc1COc1ccc(/C=C/c2ccc3ccccc3n2)cc1.O=C(O)Cc1ccccc1COc1ccc(OCc2ccc3ccccc3n2)cc1.c1ccc(Cc2nn[nH]n2)c(COc2ccc(CCc3ccc4ccccc4n3)cc2)c1
InChIInChI=1S/C30H29NO6.C27H22ClNO4.C27H21NO3.C26H22ClNO5.C26H23N5O.C26H21NO3.2C25H21NO5.C25H21NO4.9CH4/c1-3-7-26-27(19-37-30(33)34)25(20(2)32)14-15-29(26)36-17-21-8-6-10-24(16-21)35-18-23-13-12-22-9-4-5-11-28(22)31-23;1-18(27(30)31)33-26-5-3-2-4-21(26)17-32-24-14-7-19(8-15-24)6-12-23-13-10-20-9-11-22(28)16-25(20)29-23;29-27(30)18-13-21-5-1-2-7-23(21)19-31-25-16-10-20(11-17-25)9-14-24-15-12-22-6-3-4-8-26(22)28-24;1-17(26(29)30)33-25-5-3-2-4-19(25)15-31-22-10-12-23(13-11-22)32-16-21-9-7-18-6-8-20(27)14-24(18)28-21;1-2-7-22(21(6-1)17-26-28-30-31-29-26)18-32-24-15-10-19(11-16-24)9-13-23-14-12-20-5-3-4-8-25(20)27-23;28-26(29)17-21-6-1-2-7-22(21)18-30-24-15-10-19(11-16-24)9-13-23-14-12-20-5-3-4-8-25(20)27-23;27-25(28)17-31-24-8-4-2-6-19(24)15-29-21-11-13-22(14-12-21)30-16-20-10-9-18-5-1-3-7-23(18)26-20;27-25(28)17-31-21-7-3-5-18(13-21)15-29-22-8-4-9-23(14-22)30-16-20-12-11-19-6-1-2-10-24(19)26-20;27-25(28)15-19-6-1-2-7-20(19)16-29-22-11-13-23(14-12-22)30-17-21-10-9-18-5-3-4-8-24(18)26-21;;;;;;;;;/h4-6,8-16H,3,7,17-19H2,1-2H3,(H,33,34);2-16,18H,17H2,1H3,(H,30,31);1-18H,19H2,(H,29,30);2-14,17H,15-16H2,1H3,(H,29,30);1-8,10-12,14-16H,9,13,17-18H2,(H,28,29,30,31);1-16H,17-18H2,(H,28,29);2*1-14H,15-17H2,(H,27,28);1-14H,15-17H2,(H,27,28);9*1H4/b;12-6+;14-9+,18-13+;;;13-9+;;;;;;;;;;;;
InChIKeyIJUKCOKSKRKMNF-WSDBYTDWSA-N
XLogP55.98
TPSA661.31 Ų
H-Bond Donors9
H-Bond Acceptors40
Rotatable Bonds76
Heavy Atoms297
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004022.56
LogP ≤ 555.98
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1040

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze [6-acetyl-2-propyl-3-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]phenyl]methyl hydrogen carbonate;2-[2-[[4-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenoxy]methyl]phenoxy]propanoic acid;2-[2-[[4-[(7-chloroquinolin-2-yl)methoxy]phenoxy]methyl]phenoxy]propanoic acid;methane;2-[2-[[4-[(E)-2-quinolin-2-ylethenyl]phenoxy]methyl]phenyl]acetic acid;(E)-3-[2-[[4-[(E)-2-quinolin-2-ylethenyl]phenoxy]methyl]phenyl]prop-2-enoic acid;2-[2-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetic acid;2-[3-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetic acid;2-[2-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenyl]acetic acid;2-[2-[4-[[2-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]phenyl]ethyl]quinoline with MolForge

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Frequently Asked Questions

What is the IUPAC name of [6-acetyl-2-propyl-3-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]phenyl]methyl hydrogen carbonate;2-[2-[[4-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenoxy]methyl]phenoxy]propanoic acid;2-[2-[[4-[(7-chloroquinolin-2-yl)methoxy]phenoxy]methyl]phenoxy]propanoic acid;methane;2-[2-[[4-[(E)-2-quinolin-2-ylethenyl]phenoxy]methyl]phenyl]acetic acid;(E)-3-[2-[[4-[(E)-2-quinolin-2-ylethenyl]phenoxy]methyl]phenyl]prop-2-enoic acid;2-[2-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetic acid;2-[3-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetic acid;2-[2-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenyl]acetic acid;2-[2-[4-[[2-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]phenyl]ethyl]quinoline?
The IUPAC name of [6-acetyl-2-propyl-3-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]phenyl]methyl hydrogen carbonate;2-[2-[[4-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenoxy]methyl]phenoxy]propanoic acid;2-[2-[[4-[(7-chloroquinolin-2-yl)methoxy]phenoxy]methyl]phenoxy]propanoic acid;methane;2-[2-[[4-[(E)-2-quinolin-2-ylethenyl]phenoxy]methyl]phenyl]acetic acid;(E)-3-[2-[[4-[(E)-2-quinolin-2-ylethenyl]phenoxy]methyl]phenyl]prop-2-enoic acid;2-[2-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetic acid;2-[3-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetic acid;2-[2-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenyl]acetic acid;2-[2-[4-[[2-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]phenyl]ethyl]quinoline (CID 158720036) is [6-acetyl-2-propyl-3-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]phenyl]methyl hydrogen carbonate;2-[2-[[4-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenoxy]methyl]phenoxy]propanoic acid;2-[2-[[4-[(7-chloroquinolin-2-yl)methoxy]phenoxy]methyl]phenoxy]propanoic acid;methane;2-[2-[[4-[(E)-2-quinolin-2-ylethenyl]phenoxy]methyl]phenyl]acetic acid;(E)-3-[2-[[4-[(E)-2-quinolin-2-ylethenyl]phenoxy]methyl]phenyl]prop-2-enoic acid;2-[2-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetic acid;2-[3-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetic acid;2-[2-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenyl]acetic acid;2-[2-[4-[[2-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]phenyl]ethyl]quinoline.
What is the SMILES notation for [6-acetyl-2-propyl-3-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]phenyl]methyl hydrogen carbonate;2-[2-[[4-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenoxy]methyl]phenoxy]propanoic acid;2-[2-[[4-[(7-chloroquinolin-2-yl)methoxy]phenoxy]methyl]phenoxy]propanoic acid;methane;2-[2-[[4-[(E)-2-quinolin-2-ylethenyl]phenoxy]methyl]phenyl]acetic acid;(E)-3-[2-[[4-[(E)-2-quinolin-2-ylethenyl]phenoxy]methyl]phenyl]prop-2-enoic acid;2-[2-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetic acid;2-[3-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetic acid;2-[2-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenyl]acetic acid;2-[2-[4-[[2-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]phenyl]ethyl]quinoline?
The canonical SMILES for [6-acetyl-2-propyl-3-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]phenyl]methyl hydrogen carbonate;2-[2-[[4-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenoxy]methyl]phenoxy]propanoic acid;2-[2-[[4-[(7-chloroquinolin-2-yl)methoxy]phenoxy]methyl]phenoxy]propanoic acid;methane;2-[2-[[4-[(E)-2-quinolin-2-ylethenyl]phenoxy]methyl]phenyl]acetic acid;(E)-3-[2-[[4-[(E)-2-quinolin-2-ylethenyl]phenoxy]methyl]phenyl]prop-2-enoic acid;2-[2-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetic acid;2-[3-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetic acid;2-[2-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenyl]acetic acid;2-[2-[4-[[2-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]phenyl]ethyl]quinoline is C.C.C.C.C.C.C.C.C.CC(Oc1ccccc1COc1ccc(/C=C/c2ccc3ccc(Cl)cc3n2)cc1)C(=O)O.CC(Oc1ccccc1COc1ccc(OCc2ccc3ccc(Cl)cc3n2)cc1)C(=O)O.CCCc1c(OCc2cccc(OCc3ccc4ccccc4n3)c2)ccc(C(C)=O)c1COC(=O)O.O=C(O)/C=C/c1ccccc1COc1ccc(/C=C/c2ccc3ccccc3n2)cc1.O=C(O)COc1cccc(COc2cccc(OCc3ccc4ccccc4n3)c2)c1.O=C(O)COc1ccccc1COc1ccc(OCc2ccc3ccccc3n2)cc1.O=C(O)Cc1ccccc1COc1ccc(/C=C/c2ccc3ccccc3n2)cc1.O=C(O)Cc1ccccc1COc1ccc(OCc2ccc3ccccc3n2)cc1.c1ccc(Cc2nn[nH]n2)c(COc2ccc(CCc3ccc4ccccc4n3)cc2)c1.
What is the InChIKey of [6-acetyl-2-propyl-3-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]phenyl]methyl hydrogen carbonate;2-[2-[[4-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenoxy]methyl]phenoxy]propanoic acid;2-[2-[[4-[(7-chloroquinolin-2-yl)methoxy]phenoxy]methyl]phenoxy]propanoic acid;methane;2-[2-[[4-[(E)-2-quinolin-2-ylethenyl]phenoxy]methyl]phenyl]acetic acid;(E)-3-[2-[[4-[(E)-2-quinolin-2-ylethenyl]phenoxy]methyl]phenyl]prop-2-enoic acid;2-[2-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetic acid;2-[3-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetic acid;2-[2-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenyl]acetic acid;2-[2-[4-[[2-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]phenyl]ethyl]quinoline?
The InChIKey is IJUKCOKSKRKMNF-WSDBYTDWSA-N. The full InChI is InChI=1S/C30H29NO6.C27H22ClNO4.C27H21NO3.C26H22ClNO5.C26H23N5O.C26H21NO3.2C25H21NO5.C25H21NO4.9CH4/c1-3-7-26-27(19-37-30(33)34)25(20(2)32)14-15-29(26)36-17-21-8-6-10-24(16-21)35-18-23-13-12-22-9-4-5-11-28(22)31-23;1-18(27(30)31)33-26-5-3-2-4-21(26)17-32-24-14-7-19(8-15-24)6-12-23-13-10-20-9-11-22(28)16-25(20)29-23;29-27(30)18-13-21-5-1-2-7-23(21)19-31-25-16-10-20(11-17-25)9-14-24-15-12-22-6-3-4-8-26(22)28-24;1-17(26(29)30)33-25-5-3-2-4-19(25)15-31-22-10-12-23(13-11-22)32-16-21-9-7-18-6-8-20(27)14-24(18)28-21;1-2-7-22(21(6-1)17-26-28-30-31-29-26)18-32-24-15-10-19(11-16-24)9-13-23-14-12-20-5-3-4-8-25(20)27-23;28-26(29)17-21-6-1-2-7-22(21)18-30-24-15-10-19(11-16-24)9-13-23-14-12-20-5-3-4-8-25(20)27-23;27-25(28)17-31-24-8-4-2-6-19(24)15-29-21-11-13-22(14-12-21)30-16-20-10-9-18-5-1-3-7-23(18)26-20;27-25(28)17-31-21-7-3-5-18(13-21)15-29-22-8-4-9-23(14-22)30-16-20-12-11-19-6-1-2-10-24(19)26-20;27-25(28)15-19-6-1-2-7-20(19)16-29-22-11-13-23(14-12-22)30-17-21-10-9-18-5-3-4-8-24(18)26-21;;;;;;;;;/h4-6,8-16H,3,7,17-19H2,1-2H3,(H,33,34);2-16,18H,17H2,1H3,(H,30,31);1-18H,19H2,(H,29,30);2-14,17H,15-16H2,1H3,(H,29,30);1-8,10-12,14-16H,9,13,17-18H2,(H,28,29,30,31);1-16H,17-18H2,(H,28,29);2*1-14H,15-17H2,(H,27,28);1-14H,15-17H2,(H,27,28);9*1H4/b;12-6+;14-9+,18-13+;;;13-9+;;;;;;;;;;;;.
What are the key properties of [6-acetyl-2-propyl-3-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]phenyl]methyl hydrogen carbonate;2-[2-[[4-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenoxy]methyl]phenoxy]propanoic acid;2-[2-[[4-[(7-chloroquinolin-2-yl)methoxy]phenoxy]methyl]phenoxy]propanoic acid;methane;2-[2-[[4-[(E)-2-quinolin-2-ylethenyl]phenoxy]methyl]phenyl]acetic acid;(E)-3-[2-[[4-[(E)-2-quinolin-2-ylethenyl]phenoxy]methyl]phenyl]prop-2-enoic acid;2-[2-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetic acid;2-[3-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetic acid;2-[2-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenyl]acetic acid;2-[2-[4-[[2-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]phenyl]ethyl]quinoline?
[6-acetyl-2-propyl-3-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]phenyl]methyl hydrogen carbonate;2-[2-[[4-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenoxy]methyl]phenoxy]propanoic acid;2-[2-[[4-[(7-chloroquinolin-2-yl)methoxy]phenoxy]methyl]phenoxy]propanoic acid;methane;2-[2-[[4-[(E)-2-quinolin-2-ylethenyl]phenoxy]methyl]phenyl]acetic acid;(E)-3-[2-[[4-[(E)-2-quinolin-2-ylethenyl]phenoxy]methyl]phenyl]prop-2-enoic acid;2-[2-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetic acid;2-[3-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetic acid;2-[2-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenyl]acetic acid;2-[2-[4-[[2-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]phenyl]ethyl]quinoline has a molecular weight of 4022.56 g/mol, XLogP of 55.98, 76 rotatable bonds, 9 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for [6-acetyl-2-propyl-3-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]phenyl]methyl hydrogen carbonate;2-[2-[[4-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenoxy]methyl]phenoxy]propanoic acid;2-[2-[[4-[(7-chloroquinolin-2-yl)methoxy]phenoxy]methyl]phenoxy]propanoic acid;methane;2-[2-[[4-[(E)-2-quinolin-2-ylethenyl]phenoxy]methyl]phenyl]acetic acid;(E)-3-[2-[[4-[(E)-2-quinolin-2-ylethenyl]phenoxy]methyl]phenyl]prop-2-enoic acid;2-[2-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetic acid;2-[3-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetic acid;2-[2-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenyl]acetic acid;2-[2-[4-[[2-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]phenyl]ethyl]quinoline is sourced from PubChem (CID 158720036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).