methane;4-[3-(quinolin-2-ylmethoxy)phenoxy]butanenitrile;5-[3-(quinolin-2-ylmethoxy)phenoxy]pentanenitrile;2-[4-(quinolin-2-ylmethoxy)phenyl]acetonitrile;2-[3-[4-(quinolin-2-ylmethoxy)phenyl]cyclopentyl]acetic acid;2-[2-[[4-(quinolin-2-ylmethoxy)phenyl]methyl]cyclopentyl]acetamide;2-[[4-[[2-(2H-tetrazol-5-ylmethyl)cyclopentyl]methyl]phenoxy]methyl]quinoline;2-[[2-[3-(2H-tetrazol-5-yl)propoxy]phenoxy]methyl]quinoline

C157H173N19O13 — CID 159699990

IUPACmethane;4-[3-(quinolin-2-ylmethoxy)phenoxy]butanenitrile;5-[3-(quinolin-2-ylmethoxy)phenoxy]pentanenitrile;2-[4-(quinolin-2-ylmethoxy)phenyl]acetonitrile;2-[3-[4-(quinolin-2-ylmethoxy)phenyl]cyclopentyl]acetic acid;2-[2-[[4-(quinolin-2-ylmethoxy)phenyl]methyl]cyclopentyl]acetamide;2-[[4-[[2-(2H-tetrazol-5-ylmethyl)cyclopentyl]methyl]phenoxy]methyl]quinoline;2-[[2-[3-(2H-tetrazol-5-yl)propoxy]phenoxy]methyl]quinoline
SMILESC.C.C.C.C.C.C.N#CCCCCOc1cccc(OCc2ccc3ccccc3n2)c1.N#CCCCOc1cccc(OCc2ccc3ccccc3n2)c1.N#CCc1ccc(OCc2ccc3ccccc3n2)cc1.NC(=O)CC1CCCC1Cc1ccc(OCc2ccc3ccccc3n2)cc1.O=C(O)CC1CCC(c2ccc(OCc3ccc4ccccc4n3)cc2)C1.c1ccc(OCc2ccc3ccccc3n2)c(OCCCc2nn[nH]n2)c1.c1ccc2nc(COc3ccc(CC4CCCC4Cc4nn[nH]n4)cc3)ccc2c1
InChIInChI=1S/C24H25N5O.C24H26N2O2.C23H23NO3.C21H20N2O2.C20H19N5O2.C20H18N2O2.C18H14N2O.7CH4/c1-2-7-23-18(4-1)10-11-21(25-23)16-30-22-12-8-17(9-13-22)14-19-5-3-6-20(19)15-24-26-28-29-27-24;25-24(27)15-20-6-3-5-19(20)14-17-8-12-22(13-9-17)28-16-21-11-10-18-4-1-2-7-23(18)26-21;25-23(26)14-16-5-6-19(13-16)17-8-11-21(12-9-17)27-15-20-10-7-18-3-1-2-4-22(18)24-20;22-13-4-1-5-14-24-19-8-6-9-20(15-19)25-16-18-12-11-17-7-2-3-10-21(17)23-18;1-2-7-17-15(6-1)11-12-16(21-17)14-27-19-9-4-3-8-18(19)26-13-5-10-20-22-24-25-23-20;21-12-3-4-13-23-18-7-5-8-19(14-18)24-15-17-11-10-16-6-1-2-9-20(16)22-17;19-12-11-14-5-9-17(10-6-14)21-13-16-8-7-15-3-1-2-4-18(15)20-16;;;;;;;/h1-2,4,7-13,19-20H,3,5-6,14-16H2,(H,26,27,28,29);1-2,4,7-13,19-20H,3,5-6,14-16H2,(H2,25,27);1-4,7-12,16,19H,5-6,13-15H2,(H,25,26);2-3,6-12,15H,1,4-5,14,16H2;1-4,6-9,11-12H,5,10,13-14H2,(H,22,23,24,25);1-2,5-11,14H,3-4,13,15H2;1-10H,11,13H2;7*1H4
InChIKeyMXMORXUHQBTNNC-UHFFFAOYSA-N
MW2534.23 g/mol
LogP35.40
Rot. Bonds47

About methane;4-[3-(quinolin-2-ylmethoxy)phenoxy]butanenitrile;5-[3-(quinolin-2-ylmethoxy)phenoxy]pentanenitrile;2-[4-(quinolin-2-ylmethoxy)phenyl]acetonitrile;2-[3-[4-(quinolin-2-ylmethoxy)phenyl]cyclopentyl]acetic acid;2-[2-[[4-(quinolin-2-ylmethoxy)phenyl]methyl]cyclopentyl]acetamide;2-[[4-[[2-(2H-tetrazol-5-ylmethyl)cyclopentyl]methyl]phenoxy]methyl]quinoline;2-[[2-[3-(2H-tetrazol-5-yl)propoxy]phenoxy]methyl]quinoline

methane;4-[3-(quinolin-2-ylmethoxy)phenoxy]butanenitrile;5-[3-(quinolin-2-ylmethoxy)phenoxy]pentanenitrile;2-[4-(quinolin-2-ylmethoxy)phenyl]acetonitrile;2-[3-[4-(quinolin-2-ylmethoxy)phenyl]cyclopentyl]acetic acid;2-[2-[[4-(quinolin-2-ylmethoxy)phenyl]methyl]cyclopentyl]acetamide;2-[[4-[[2-(2H-tetrazol-5-ylmethyl)cyclopentyl]methyl]phenoxy]methyl]quinoline;2-[[2-[3-(2H-tetrazol-5-yl)propoxy]phenoxy]methyl]quinoline (PubChem CID 159699990) has the molecular formula C157H173N19O13 and a molecular weight of 2534.23 g/mol. Its IUPAC name is methane;4-[3-(quinolin-2-ylmethoxy)phenoxy]butanenitrile;5-[3-(quinolin-2-ylmethoxy)phenoxy]pentanenitrile;2-[4-(quinolin-2-ylmethoxy)phenyl]acetonitrile;2-[3-[4-(quinolin-2-ylmethoxy)phenyl]cyclopentyl]acetic acid;2-[2-[[4-(quinolin-2-ylmethoxy)phenyl]methyl]cyclopentyl]acetamide;2-[[4-[[2-(2H-tetrazol-5-ylmethyl)cyclopentyl]methyl]phenoxy]methyl]quinoline;2-[[2-[3-(2H-tetrazol-5-yl)propoxy]phenoxy]methyl]quinoline.

Molecular Properties

Compound Namemethane;4-[3-(quinolin-2-ylmethoxy)phenoxy]butanenitrile;5-[3-(quinolin-2-ylmethoxy)phenoxy]pentanenitrile;2-[4-(quinolin-2-ylmethoxy)phenyl]acetonitrile;2-[3-[4-(quinolin-2-ylmethoxy)phenyl]cyclopentyl]acetic acid;2-[2-[[4-(quinolin-2-ylmethoxy)phenyl]methyl]cyclopentyl]acetamide;2-[[4-[[2-(2H-tetrazol-5-ylmethyl)cyclopentyl]methyl]phenoxy]methyl]quinoline;2-[[2-[3-(2H-tetrazol-5-yl)propoxy]phenoxy]methyl]quinoline
PubChem CID159699990
Molecular FormulaC157H173N19O13
Molecular Weight2534.23 g/mol
Exact Mass2532.35
IUPAC Namemethane;4-[3-(quinolin-2-ylmethoxy)phenoxy]butanenitrile;5-[3-(quinolin-2-ylmethoxy)phenoxy]pentanenitrile;2-[4-(quinolin-2-ylmethoxy)phenyl]acetonitrile;2-[3-[4-(quinolin-2-ylmethoxy)phenyl]cyclopentyl]acetic acid;2-[2-[[4-(quinolin-2-ylmethoxy)phenyl]methyl]cyclopentyl]acetamide;2-[[4-[[2-(2H-tetrazol-5-ylmethyl)cyclopentyl]methyl]phenoxy]methyl]quinoline;2-[[2-[3-(2H-tetrazol-5-yl)propoxy]phenoxy]methyl]quinoline
SMILESC.C.C.C.C.C.C.N#CCCCCOc1cccc(OCc2ccc3ccccc3n2)c1.N#CCCCOc1cccc(OCc2ccc3ccccc3n2)c1.N#CCc1ccc(OCc2ccc3ccccc3n2)cc1.NC(=O)CC1CCCC1Cc1ccc(OCc2ccc3ccccc3n2)cc1.O=C(O)CC1CCC(c2ccc(OCc3ccc4ccccc4n3)cc2)C1.c1ccc(OCc2ccc3ccccc3n2)c(OCCCc2nn[nH]n2)c1.c1ccc2nc(COc3ccc(CC4CCCC4Cc4nn[nH]n4)cc3)ccc2c1
InChIInChI=1S/C24H25N5O.C24H26N2O2.C23H23NO3.C21H20N2O2.C20H19N5O2.C20H18N2O2.C18H14N2O.7CH4/c1-2-7-23-18(4-1)10-11-21(25-23)16-30-22-12-8-17(9-13-22)14-19-5-3-6-20(19)15-24-26-28-29-27-24;25-24(27)15-20-6-3-5-19(20)14-17-8-12-22(13-9-17)28-16-21-11-10-18-4-1-2-7-23(18)26-21;25-23(26)14-16-5-6-19(13-16)17-8-11-21(12-9-17)27-15-20-10-7-18-3-1-2-4-22(18)24-20;22-13-4-1-5-14-24-19-8-6-9-20(15-19)25-16-18-12-11-17-7-2-3-10-21(17)23-18;1-2-7-17-15(6-1)11-12-16(21-17)14-27-19-9-4-3-8-18(19)26-13-5-10-20-22-24-25-23-20;21-12-3-4-13-23-18-7-5-8-19(14-18)24-15-17-11-10-16-6-1-2-9-20(16)22-17;19-12-11-14-5-9-17(10-6-14)21-13-16-8-7-15-3-1-2-4-18(15)20-16;;;;;;;/h1-2,4,7-13,19-20H,3,5-6,14-16H2,(H,26,27,28,29);1-2,4,7-13,19-20H,3,5-6,14-16H2,(H2,25,27);1-4,7-12,16,19H,5-6,13-15H2,(H,25,26);2-3,6-12,15H,1,4-5,14,16H2;1-4,6-9,11-12H,5,10,13-14H2,(H,22,23,24,25);1-2,5-11,14H,3-4,13,15H2;1-10H,11,13H2;7*1H4
InChIKeyMXMORXUHQBTNNC-UHFFFAOYSA-N
XLogP35.40
TPSA443.21 Ų
H-Bond Donors4
H-Bond Acceptors28
Rotatable Bonds47
Heavy Atoms189
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002534.23
LogP ≤ 535.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

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

Analyze methane;4-[3-(quinolin-2-ylmethoxy)phenoxy]butanenitrile;5-[3-(quinolin-2-ylmethoxy)phenoxy]pentanenitrile;2-[4-(quinolin-2-ylmethoxy)phenyl]acetonitrile;2-[3-[4-(quinolin-2-ylmethoxy)phenyl]cyclopentyl]acetic acid;2-[2-[[4-(quinolin-2-ylmethoxy)phenyl]methyl]cyclopentyl]acetamide;2-[[4-[[2-(2H-tetrazol-5-ylmethyl)cyclopentyl]methyl]phenoxy]methyl]quinoline;2-[[2-[3-(2H-tetrazol-5-yl)propoxy]phenoxy]methyl]quinoline with MolForge

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Frequently Asked Questions

What is the IUPAC name of methane;4-[3-(quinolin-2-ylmethoxy)phenoxy]butanenitrile;5-[3-(quinolin-2-ylmethoxy)phenoxy]pentanenitrile;2-[4-(quinolin-2-ylmethoxy)phenyl]acetonitrile;2-[3-[4-(quinolin-2-ylmethoxy)phenyl]cyclopentyl]acetic acid;2-[2-[[4-(quinolin-2-ylmethoxy)phenyl]methyl]cyclopentyl]acetamide;2-[[4-[[2-(2H-tetrazol-5-ylmethyl)cyclopentyl]methyl]phenoxy]methyl]quinoline;2-[[2-[3-(2H-tetrazol-5-yl)propoxy]phenoxy]methyl]quinoline?
The IUPAC name of methane;4-[3-(quinolin-2-ylmethoxy)phenoxy]butanenitrile;5-[3-(quinolin-2-ylmethoxy)phenoxy]pentanenitrile;2-[4-(quinolin-2-ylmethoxy)phenyl]acetonitrile;2-[3-[4-(quinolin-2-ylmethoxy)phenyl]cyclopentyl]acetic acid;2-[2-[[4-(quinolin-2-ylmethoxy)phenyl]methyl]cyclopentyl]acetamide;2-[[4-[[2-(2H-tetrazol-5-ylmethyl)cyclopentyl]methyl]phenoxy]methyl]quinoline;2-[[2-[3-(2H-tetrazol-5-yl)propoxy]phenoxy]methyl]quinoline (CID 159699990) is methane;4-[3-(quinolin-2-ylmethoxy)phenoxy]butanenitrile;5-[3-(quinolin-2-ylmethoxy)phenoxy]pentanenitrile;2-[4-(quinolin-2-ylmethoxy)phenyl]acetonitrile;2-[3-[4-(quinolin-2-ylmethoxy)phenyl]cyclopentyl]acetic acid;2-[2-[[4-(quinolin-2-ylmethoxy)phenyl]methyl]cyclopentyl]acetamide;2-[[4-[[2-(2H-tetrazol-5-ylmethyl)cyclopentyl]methyl]phenoxy]methyl]quinoline;2-[[2-[3-(2H-tetrazol-5-yl)propoxy]phenoxy]methyl]quinoline.
What is the SMILES notation for methane;4-[3-(quinolin-2-ylmethoxy)phenoxy]butanenitrile;5-[3-(quinolin-2-ylmethoxy)phenoxy]pentanenitrile;2-[4-(quinolin-2-ylmethoxy)phenyl]acetonitrile;2-[3-[4-(quinolin-2-ylmethoxy)phenyl]cyclopentyl]acetic acid;2-[2-[[4-(quinolin-2-ylmethoxy)phenyl]methyl]cyclopentyl]acetamide;2-[[4-[[2-(2H-tetrazol-5-ylmethyl)cyclopentyl]methyl]phenoxy]methyl]quinoline;2-[[2-[3-(2H-tetrazol-5-yl)propoxy]phenoxy]methyl]quinoline?
The canonical SMILES for methane;4-[3-(quinolin-2-ylmethoxy)phenoxy]butanenitrile;5-[3-(quinolin-2-ylmethoxy)phenoxy]pentanenitrile;2-[4-(quinolin-2-ylmethoxy)phenyl]acetonitrile;2-[3-[4-(quinolin-2-ylmethoxy)phenyl]cyclopentyl]acetic acid;2-[2-[[4-(quinolin-2-ylmethoxy)phenyl]methyl]cyclopentyl]acetamide;2-[[4-[[2-(2H-tetrazol-5-ylmethyl)cyclopentyl]methyl]phenoxy]methyl]quinoline;2-[[2-[3-(2H-tetrazol-5-yl)propoxy]phenoxy]methyl]quinoline is C.C.C.C.C.C.C.N#CCCCCOc1cccc(OCc2ccc3ccccc3n2)c1.N#CCCCOc1cccc(OCc2ccc3ccccc3n2)c1.N#CCc1ccc(OCc2ccc3ccccc3n2)cc1.NC(=O)CC1CCCC1Cc1ccc(OCc2ccc3ccccc3n2)cc1.O=C(O)CC1CCC(c2ccc(OCc3ccc4ccccc4n3)cc2)C1.c1ccc(OCc2ccc3ccccc3n2)c(OCCCc2nn[nH]n2)c1.c1ccc2nc(COc3ccc(CC4CCCC4Cc4nn[nH]n4)cc3)ccc2c1.
What is the InChIKey of methane;4-[3-(quinolin-2-ylmethoxy)phenoxy]butanenitrile;5-[3-(quinolin-2-ylmethoxy)phenoxy]pentanenitrile;2-[4-(quinolin-2-ylmethoxy)phenyl]acetonitrile;2-[3-[4-(quinolin-2-ylmethoxy)phenyl]cyclopentyl]acetic acid;2-[2-[[4-(quinolin-2-ylmethoxy)phenyl]methyl]cyclopentyl]acetamide;2-[[4-[[2-(2H-tetrazol-5-ylmethyl)cyclopentyl]methyl]phenoxy]methyl]quinoline;2-[[2-[3-(2H-tetrazol-5-yl)propoxy]phenoxy]methyl]quinoline?
The InChIKey is MXMORXUHQBTNNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O.C24H26N2O2.C23H23NO3.C21H20N2O2.C20H19N5O2.C20H18N2O2.C18H14N2O.7CH4/c1-2-7-23-18(4-1)10-11-21(25-23)16-30-22-12-8-17(9-13-22)14-19-5-3-6-20(19)15-24-26-28-29-27-24;25-24(27)15-20-6-3-5-19(20)14-17-8-12-22(13-9-17)28-16-21-11-10-18-4-1-2-7-23(18)26-21;25-23(26)14-16-5-6-19(13-16)17-8-11-21(12-9-17)27-15-20-10-7-18-3-1-2-4-22(18)24-20;22-13-4-1-5-14-24-19-8-6-9-20(15-19)25-16-18-12-11-17-7-2-3-10-21(17)23-18;1-2-7-17-15(6-1)11-12-16(21-17)14-27-19-9-4-3-8-18(19)26-13-5-10-20-22-24-25-23-20;21-12-3-4-13-23-18-7-5-8-19(14-18)24-15-17-11-10-16-6-1-2-9-20(16)22-17;19-12-11-14-5-9-17(10-6-14)21-13-16-8-7-15-3-1-2-4-18(15)20-16;;;;;;;/h1-2,4,7-13,19-20H,3,5-6,14-16H2,(H,26,27,28,29);1-2,4,7-13,19-20H,3,5-6,14-16H2,(H2,25,27);1-4,7-12,16,19H,5-6,13-15H2,(H,25,26);2-3,6-12,15H,1,4-5,14,16H2;1-4,6-9,11-12H,5,10,13-14H2,(H,22,23,24,25);1-2,5-11,14H,3-4,13,15H2;1-10H,11,13H2;7*1H4.
What are the key properties of methane;4-[3-(quinolin-2-ylmethoxy)phenoxy]butanenitrile;5-[3-(quinolin-2-ylmethoxy)phenoxy]pentanenitrile;2-[4-(quinolin-2-ylmethoxy)phenyl]acetonitrile;2-[3-[4-(quinolin-2-ylmethoxy)phenyl]cyclopentyl]acetic acid;2-[2-[[4-(quinolin-2-ylmethoxy)phenyl]methyl]cyclopentyl]acetamide;2-[[4-[[2-(2H-tetrazol-5-ylmethyl)cyclopentyl]methyl]phenoxy]methyl]quinoline;2-[[2-[3-(2H-tetrazol-5-yl)propoxy]phenoxy]methyl]quinoline?
methane;4-[3-(quinolin-2-ylmethoxy)phenoxy]butanenitrile;5-[3-(quinolin-2-ylmethoxy)phenoxy]pentanenitrile;2-[4-(quinolin-2-ylmethoxy)phenyl]acetonitrile;2-[3-[4-(quinolin-2-ylmethoxy)phenyl]cyclopentyl]acetic acid;2-[2-[[4-(quinolin-2-ylmethoxy)phenyl]methyl]cyclopentyl]acetamide;2-[[4-[[2-(2H-tetrazol-5-ylmethyl)cyclopentyl]methyl]phenoxy]methyl]quinoline;2-[[2-[3-(2H-tetrazol-5-yl)propoxy]phenoxy]methyl]quinoline has a molecular weight of 2534.23 g/mol, XLogP of 35.40, 47 rotatable bonds, 4 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for methane;4-[3-(quinolin-2-ylmethoxy)phenoxy]butanenitrile;5-[3-(quinolin-2-ylmethoxy)phenoxy]pentanenitrile;2-[4-(quinolin-2-ylmethoxy)phenyl]acetonitrile;2-[3-[4-(quinolin-2-ylmethoxy)phenyl]cyclopentyl]acetic acid;2-[2-[[4-(quinolin-2-ylmethoxy)phenyl]methyl]cyclopentyl]acetamide;2-[[4-[[2-(2H-tetrazol-5-ylmethyl)cyclopentyl]methyl]phenoxy]methyl]quinoline;2-[[2-[3-(2H-tetrazol-5-yl)propoxy]phenoxy]methyl]quinoline is sourced from PubChem (CID 159699990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).