2-[2-[(E)-2-[4-[(7-chloroquinolin-3-yl)oxymethyl]phenyl]ethenyl]phenoxy]pentanoic acid;methane;2-[3-[[4-[(E)-2-phenylethenyl]phenyl]methoxy]phenyl]acetic acid;3-[2-[(Z)-2-[4-(quinolin-2-ylmethoxy)phenyl]ethenyl]phenoxy]hexan-2-one;2-[[4-[(E)-2-[2-(2H-tetrazol-5-ylmethyl)phenyl]ethenyl]phenoxy]methyl]quinoline

C111H108ClN7O11 — CID 159906155

IUPAC2-[2-[(E)-2-[4-[(7-chloroquinolin-3-yl)oxymethyl]phenyl]ethenyl]phenoxy]pentanoic acid;methane;2-[3-[[4-[(E)-2-phenylethenyl]phenyl]methoxy]phenyl]acetic acid;3-[2-[(Z)-2-[4-(quinolin-2-ylmethoxy)phenyl]ethenyl]phenoxy]hexan-2-one;2-[[4-[(E)-2-[2-(2H-tetrazol-5-ylmethyl)phenyl]ethenyl]phenoxy]methyl]quinoline
SMILESC.C.C.C(=C/c1ccccc1Cc1nn[nH]n1)\c1ccc(OCc2ccc3ccccc3n2)cc1.CCCC(Oc1ccccc1/C=C/c1ccc(COc2cnc3cc(Cl)ccc3c2)cc1)C(=O)O.CCCC(Oc1ccccc1/C=C\c1ccc(OCc2ccc3ccccc3n2)cc1)C(C)=O.O=C(O)Cc1cccc(OCc2ccc(/C=C/c3ccccc3)cc2)c1
InChIInChI=1S/C30H29NO3.C29H26ClNO4.C26H21N5O.C23H20O3.3CH4/c1-3-8-29(22(2)32)34-30-12-7-5-10-25(30)16-13-23-14-19-27(20-15-23)33-21-26-18-17-24-9-4-6-11-28(24)31-26;1-2-5-28(29(32)33)35-27-7-4-3-6-22(27)13-12-20-8-10-21(11-9-20)19-34-25-16-23-14-15-24(30)17-26(23)31-18-25;1-2-7-22(17-26-28-30-31-29-26)20(5-1)12-9-19-10-15-24(16-11-19)32-18-23-14-13-21-6-3-4-8-25(21)27-23;24-23(25)16-21-7-4-8-22(15-21)26-17-20-13-11-19(12-14-20)10-9-18-5-2-1-3-6-18;;;/h4-7,9-20,29H,3,8,21H2,1-2H3;3-4,6-18,28H,2,5,19H2,1H3,(H,32,33);1-16H,17-18H2,(H,28,29,30,31);1-15H,16-17H2,(H,24,25);3*1H4/b16-13-;13-12+;12-9+;10-9+;;;
InChIKeyNWPCWVWTROUDCC-XPYPUJJUSA-N
MW1751.58 g/mol
LogP26.45
Rot. Bonds34

About 2-[2-[(E)-2-[4-[(7-chloroquinolin-3-yl)oxymethyl]phenyl]ethenyl]phenoxy]pentanoic acid;methane;2-[3-[[4-[(E)-2-phenylethenyl]phenyl]methoxy]phenyl]acetic acid;3-[2-[(Z)-2-[4-(quinolin-2-ylmethoxy)phenyl]ethenyl]phenoxy]hexan-2-one;2-[[4-[(E)-2-[2-(2H-tetrazol-5-ylmethyl)phenyl]ethenyl]phenoxy]methyl]quinoline

2-[2-[(E)-2-[4-[(7-chloroquinolin-3-yl)oxymethyl]phenyl]ethenyl]phenoxy]pentanoic acid;methane;2-[3-[[4-[(E)-2-phenylethenyl]phenyl]methoxy]phenyl]acetic acid;3-[2-[(Z)-2-[4-(quinolin-2-ylmethoxy)phenyl]ethenyl]phenoxy]hexan-2-one;2-[[4-[(E)-2-[2-(2H-tetrazol-5-ylmethyl)phenyl]ethenyl]phenoxy]methyl]quinoline (PubChem CID 159906155) has the molecular formula C111H108ClN7O11 and a molecular weight of 1751.58 g/mol. Its IUPAC name is 2-[2-[(E)-2-[4-[(7-chloroquinolin-3-yl)oxymethyl]phenyl]ethenyl]phenoxy]pentanoic acid;methane;2-[3-[[4-[(E)-2-phenylethenyl]phenyl]methoxy]phenyl]acetic acid;3-[2-[(Z)-2-[4-(quinolin-2-ylmethoxy)phenyl]ethenyl]phenoxy]hexan-2-one;2-[[4-[(E)-2-[2-(2H-tetrazol-5-ylmethyl)phenyl]ethenyl]phenoxy]methyl]quinoline.

Molecular Properties

Compound Name2-[2-[(E)-2-[4-[(7-chloroquinolin-3-yl)oxymethyl]phenyl]ethenyl]phenoxy]pentanoic acid;methane;2-[3-[[4-[(E)-2-phenylethenyl]phenyl]methoxy]phenyl]acetic acid;3-[2-[(Z)-2-[4-(quinolin-2-ylmethoxy)phenyl]ethenyl]phenoxy]hexan-2-one;2-[[4-[(E)-2-[2-(2H-tetrazol-5-ylmethyl)phenyl]ethenyl]phenoxy]methyl]quinoline
PubChem CID159906155
Molecular FormulaC111H108ClN7O11
Molecular Weight1751.58 g/mol
Exact Mass1749.78
IUPAC Name2-[2-[(E)-2-[4-[(7-chloroquinolin-3-yl)oxymethyl]phenyl]ethenyl]phenoxy]pentanoic acid;methane;2-[3-[[4-[(E)-2-phenylethenyl]phenyl]methoxy]phenyl]acetic acid;3-[2-[(Z)-2-[4-(quinolin-2-ylmethoxy)phenyl]ethenyl]phenoxy]hexan-2-one;2-[[4-[(E)-2-[2-(2H-tetrazol-5-ylmethyl)phenyl]ethenyl]phenoxy]methyl]quinoline
SMILESC.C.C.C(=C/c1ccccc1Cc1nn[nH]n1)\c1ccc(OCc2ccc3ccccc3n2)cc1.CCCC(Oc1ccccc1/C=C/c1ccc(COc2cnc3cc(Cl)ccc3c2)cc1)C(=O)O.CCCC(Oc1ccccc1/C=C\c1ccc(OCc2ccc3ccccc3n2)cc1)C(C)=O.O=C(O)Cc1cccc(OCc2ccc(/C=C/c3ccccc3)cc2)c1
InChIInChI=1S/C30H29NO3.C29H26ClNO4.C26H21N5O.C23H20O3.3CH4/c1-3-8-29(22(2)32)34-30-12-7-5-10-25(30)16-13-23-14-19-27(20-15-23)33-21-26-18-17-24-9-4-6-11-28(24)31-26;1-2-5-28(29(32)33)35-27-7-4-3-6-22(27)13-12-20-8-10-21(11-9-20)19-34-25-16-23-14-15-24(30)17-26(23)31-18-25;1-2-7-22(17-26-28-30-31-29-26)20(5-1)12-9-19-10-15-24(16-11-19)32-18-23-14-13-21-6-3-4-8-25(21)27-23;24-23(25)16-21-7-4-8-22(15-21)26-17-20-13-11-19(12-14-20)10-9-18-5-2-1-3-6-18;;;/h4-7,9-20,29H,3,8,21H2,1-2H3;3-4,6-18,28H,2,5,19H2,1H3,(H,32,33);1-16H,17-18H2,(H,28,29,30,31);1-15H,16-17H2,(H,24,25);3*1H4/b16-13-;13-12+;12-9+;10-9+;;;
InChIKeyNWPCWVWTROUDCC-XPYPUJJUSA-N
XLogP26.45
TPSA240.18 Ų
H-Bond Donors3
H-Bond Acceptors15
Rotatable Bonds34
Heavy Atoms130
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001751.58
LogP ≤ 526.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze 2-[2-[(E)-2-[4-[(7-chloroquinolin-3-yl)oxymethyl]phenyl]ethenyl]phenoxy]pentanoic acid;methane;2-[3-[[4-[(E)-2-phenylethenyl]phenyl]methoxy]phenyl]acetic acid;3-[2-[(Z)-2-[4-(quinolin-2-ylmethoxy)phenyl]ethenyl]phenoxy]hexan-2-one;2-[[4-[(E)-2-[2-(2H-tetrazol-5-ylmethyl)phenyl]ethenyl]phenoxy]methyl]quinoline with MolForge

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Related Compounds

2-[2-[(E)-2-[4-[(7-chloroquinolin-3-yl)oxymethyl]phenyl]ethenyl]phenoxy]pentanoic acid;2-[[2-[[3-[(8-fluoroquinolin-2-yl)methoxy]phenoxy]methyl]phenyl]methyl]pentanoic acid;methane;2-methoxy-6-methyl-4-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzoic acid;2-methyl-6-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzoic acid;2-[3-[[4-[(E)-2-phenylethenyl]phenyl]methoxy]phenyl]acetic acid;7-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]-1-benzofuran-2-carboxylic acid;2-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzoic acid;(E)-3-[2-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenyl]prop-2-enoic acid;2-[2-[(Z)-2-[4-(quinolin-2-ylmethoxy)phenyl]ethenyl]phenoxy]pentanoic acid;2-[[4-[(E)-2-[2-(2H-tetrazol-5-ylmethyl)phenyl]ethenyl]phenoxy]methyl]quinoline
CID 158441723
2-[2-[(E)-2-[4-[(7-chloroquinolin-3-yl)oxymethyl]phenyl]ethenyl]phenoxy]pentanoic acid;methane;1-[3-[[4-[(E)-2-phenylethenyl]phenyl]methoxy]phenyl]propan-2-one;2-[[4-[(E)-2-[2-(1H-1,2,4-triazol-5-ylmethyl)phenyl]ethenyl]phenoxy]methyl]quinoline
CID 159341977

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(E)-2-[4-[(7-chloroquinolin-3-yl)oxymethyl]phenyl]ethenyl]phenoxy]pentanoic acid;methane;2-[3-[[4-[(E)-2-phenylethenyl]phenyl]methoxy]phenyl]acetic acid;3-[2-[(Z)-2-[4-(quinolin-2-ylmethoxy)phenyl]ethenyl]phenoxy]hexan-2-one;2-[[4-[(E)-2-[2-(2H-tetrazol-5-ylmethyl)phenyl]ethenyl]phenoxy]methyl]quinoline?
The IUPAC name of 2-[2-[(E)-2-[4-[(7-chloroquinolin-3-yl)oxymethyl]phenyl]ethenyl]phenoxy]pentanoic acid;methane;2-[3-[[4-[(E)-2-phenylethenyl]phenyl]methoxy]phenyl]acetic acid;3-[2-[(Z)-2-[4-(quinolin-2-ylmethoxy)phenyl]ethenyl]phenoxy]hexan-2-one;2-[[4-[(E)-2-[2-(2H-tetrazol-5-ylmethyl)phenyl]ethenyl]phenoxy]methyl]quinoline (CID 159906155) is 2-[2-[(E)-2-[4-[(7-chloroquinolin-3-yl)oxymethyl]phenyl]ethenyl]phenoxy]pentanoic acid;methane;2-[3-[[4-[(E)-2-phenylethenyl]phenyl]methoxy]phenyl]acetic acid;3-[2-[(Z)-2-[4-(quinolin-2-ylmethoxy)phenyl]ethenyl]phenoxy]hexan-2-one;2-[[4-[(E)-2-[2-(2H-tetrazol-5-ylmethyl)phenyl]ethenyl]phenoxy]methyl]quinoline.
What is the SMILES notation for 2-[2-[(E)-2-[4-[(7-chloroquinolin-3-yl)oxymethyl]phenyl]ethenyl]phenoxy]pentanoic acid;methane;2-[3-[[4-[(E)-2-phenylethenyl]phenyl]methoxy]phenyl]acetic acid;3-[2-[(Z)-2-[4-(quinolin-2-ylmethoxy)phenyl]ethenyl]phenoxy]hexan-2-one;2-[[4-[(E)-2-[2-(2H-tetrazol-5-ylmethyl)phenyl]ethenyl]phenoxy]methyl]quinoline?
The canonical SMILES for 2-[2-[(E)-2-[4-[(7-chloroquinolin-3-yl)oxymethyl]phenyl]ethenyl]phenoxy]pentanoic acid;methane;2-[3-[[4-[(E)-2-phenylethenyl]phenyl]methoxy]phenyl]acetic acid;3-[2-[(Z)-2-[4-(quinolin-2-ylmethoxy)phenyl]ethenyl]phenoxy]hexan-2-one;2-[[4-[(E)-2-[2-(2H-tetrazol-5-ylmethyl)phenyl]ethenyl]phenoxy]methyl]quinoline is C.C.C.C(=C/c1ccccc1Cc1nn[nH]n1)\c1ccc(OCc2ccc3ccccc3n2)cc1.CCCC(Oc1ccccc1/C=C/c1ccc(COc2cnc3cc(Cl)ccc3c2)cc1)C(=O)O.CCCC(Oc1ccccc1/C=C\c1ccc(OCc2ccc3ccccc3n2)cc1)C(C)=O.O=C(O)Cc1cccc(OCc2ccc(/C=C/c3ccccc3)cc2)c1.
What is the InChIKey of 2-[2-[(E)-2-[4-[(7-chloroquinolin-3-yl)oxymethyl]phenyl]ethenyl]phenoxy]pentanoic acid;methane;2-[3-[[4-[(E)-2-phenylethenyl]phenyl]methoxy]phenyl]acetic acid;3-[2-[(Z)-2-[4-(quinolin-2-ylmethoxy)phenyl]ethenyl]phenoxy]hexan-2-one;2-[[4-[(E)-2-[2-(2H-tetrazol-5-ylmethyl)phenyl]ethenyl]phenoxy]methyl]quinoline?
The InChIKey is NWPCWVWTROUDCC-XPYPUJJUSA-N. The full InChI is InChI=1S/C30H29NO3.C29H26ClNO4.C26H21N5O.C23H20O3.3CH4/c1-3-8-29(22(2)32)34-30-12-7-5-10-25(30)16-13-23-14-19-27(20-15-23)33-21-26-18-17-24-9-4-6-11-28(24)31-26;1-2-5-28(29(32)33)35-27-7-4-3-6-22(27)13-12-20-8-10-21(11-9-20)19-34-25-16-23-14-15-24(30)17-26(23)31-18-25;1-2-7-22(17-26-28-30-31-29-26)20(5-1)12-9-19-10-15-24(16-11-19)32-18-23-14-13-21-6-3-4-8-25(21)27-23;24-23(25)16-21-7-4-8-22(15-21)26-17-20-13-11-19(12-14-20)10-9-18-5-2-1-3-6-18;;;/h4-7,9-20,29H,3,8,21H2,1-2H3;3-4,6-18,28H,2,5,19H2,1H3,(H,32,33);1-16H,17-18H2,(H,28,29,30,31);1-15H,16-17H2,(H,24,25);3*1H4/b16-13-;13-12+;12-9+;10-9+;;;.
What are the key properties of 2-[2-[(E)-2-[4-[(7-chloroquinolin-3-yl)oxymethyl]phenyl]ethenyl]phenoxy]pentanoic acid;methane;2-[3-[[4-[(E)-2-phenylethenyl]phenyl]methoxy]phenyl]acetic acid;3-[2-[(Z)-2-[4-(quinolin-2-ylmethoxy)phenyl]ethenyl]phenoxy]hexan-2-one;2-[[4-[(E)-2-[2-(2H-tetrazol-5-ylmethyl)phenyl]ethenyl]phenoxy]methyl]quinoline?
2-[2-[(E)-2-[4-[(7-chloroquinolin-3-yl)oxymethyl]phenyl]ethenyl]phenoxy]pentanoic acid;methane;2-[3-[[4-[(E)-2-phenylethenyl]phenyl]methoxy]phenyl]acetic acid;3-[2-[(Z)-2-[4-(quinolin-2-ylmethoxy)phenyl]ethenyl]phenoxy]hexan-2-one;2-[[4-[(E)-2-[2-(2H-tetrazol-5-ylmethyl)phenyl]ethenyl]phenoxy]methyl]quinoline has a molecular weight of 1751.58 g/mol, XLogP of 26.45, 34 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(E)-2-[4-[(7-chloroquinolin-3-yl)oxymethyl]phenyl]ethenyl]phenoxy]pentanoic acid;methane;2-[3-[[4-[(E)-2-phenylethenyl]phenyl]methoxy]phenyl]acetic acid;3-[2-[(Z)-2-[4-(quinolin-2-ylmethoxy)phenyl]ethenyl]phenoxy]hexan-2-one;2-[[4-[(E)-2-[2-(2H-tetrazol-5-ylmethyl)phenyl]ethenyl]phenoxy]methyl]quinoline is sourced from PubChem (CID 159906155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).