3-(4-aminophenoxy)benzamide;4-chloro-7-(3-chloropropoxy)-6-methoxyquinoline-3-carbonitrile;3-[4-[[7-(3-chloropropoxy)-3-cyano-6-methoxyquinolin-4-yl]amino]phenoxy]benzamide;3-[4-[[3-cyano-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]amino]phenoxy]benzamide;ethyl 3-(4-aminophenoxy)benzoate;methane

C105H113Cl3N14O16 — CID 157306194

IUPAC3-(4-aminophenoxy)benzamide;4-chloro-7-(3-chloropropoxy)-6-methoxyquinoline-3-carbonitrile;3-[4-[[7-(3-chloropropoxy)-3-cyano-6-methoxyquinolin-4-yl]amino]phenoxy]benzamide;3-[4-[[3-cyano-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]amino]phenoxy]benzamide;ethyl 3-(4-aminophenoxy)benzoate;methane
SMILESC.C.C.C.C.CCOC(=O)c1cccc(Oc2ccc(N)cc2)c1.COc1cc2c(Cl)c(C#N)cnc2cc1OCCCCl.COc1cc2c(Nc3ccc(Oc4cccc(C(N)=O)c4)cc3)c(C#N)cnc2cc1OCCCCl.COc1cc2c(Nc3ccc(Oc4cccc(C(N)=O)c4)cc3)c(C#N)cnc2cc1OCCCN1CCOCC1.NC(=O)c1cccc(Oc2ccc(N)cc2)c1
InChIInChI=1S/C31H31N5O5.C27H23ClN4O4.C15H15NO3.C14H12Cl2N2O2.C13H12N2O2.5CH4/c1-38-28-17-26-27(18-29(28)40-13-3-10-36-11-14-39-15-12-36)34-20-22(19-32)30(26)35-23-6-8-24(9-7-23)41-25-5-2-4-21(16-25)31(33)37;1-34-24-13-22-23(14-25(24)35-11-3-10-28)31-16-18(15-29)26(22)32-19-6-8-20(9-7-19)36-21-5-2-4-17(12-21)27(30)33;1-2-18-15(17)11-4-3-5-14(10-11)19-13-8-6-12(16)7-9-13;1-19-12-5-10-11(6-13(12)20-4-2-3-15)18-8-9(7-17)14(10)16;14-10-4-6-11(7-5-10)17-12-3-1-2-9(8-12)13(15)16;;;;;/h2,4-9,16-18,20H,3,10-15H2,1H3,(H2,33,37)(H,34,35);2,4-9,12-14,16H,3,10-11H2,1H3,(H2,30,33)(H,31,32);3-10H,2,16H2,1H3;5-6,8H,2-4H2,1H3;1-8H,14H2,(H2,15,16);5*1H4
InChIKeyBCMRPTPGPRPEQK-UHFFFAOYSA-N
MW1933.50 g/mol
LogP22.96
Rot. Bonds33

About 3-(4-aminophenoxy)benzamide;4-chloro-7-(3-chloropropoxy)-6-methoxyquinoline-3-carbonitrile;3-[4-[[7-(3-chloropropoxy)-3-cyano-6-methoxyquinolin-4-yl]amino]phenoxy]benzamide;3-[4-[[3-cyano-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]amino]phenoxy]benzamide;ethyl 3-(4-aminophenoxy)benzoate;methane

3-(4-aminophenoxy)benzamide;4-chloro-7-(3-chloropropoxy)-6-methoxyquinoline-3-carbonitrile;3-[4-[[7-(3-chloropropoxy)-3-cyano-6-methoxyquinolin-4-yl]amino]phenoxy]benzamide;3-[4-[[3-cyano-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]amino]phenoxy]benzamide;ethyl 3-(4-aminophenoxy)benzoate;methane (PubChem CID 157306194) has the molecular formula C105H113Cl3N14O16 and a molecular weight of 1933.50 g/mol. Its IUPAC name is 3-(4-aminophenoxy)benzamide;4-chloro-7-(3-chloropropoxy)-6-methoxyquinoline-3-carbonitrile;3-[4-[[7-(3-chloropropoxy)-3-cyano-6-methoxyquinolin-4-yl]amino]phenoxy]benzamide;3-[4-[[3-cyano-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]amino]phenoxy]benzamide;ethyl 3-(4-aminophenoxy)benzoate;methane.

Molecular Properties

Compound Name3-(4-aminophenoxy)benzamide;4-chloro-7-(3-chloropropoxy)-6-methoxyquinoline-3-carbonitrile;3-[4-[[7-(3-chloropropoxy)-3-cyano-6-methoxyquinolin-4-yl]amino]phenoxy]benzamide;3-[4-[[3-cyano-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]amino]phenoxy]benzamide;ethyl 3-(4-aminophenoxy)benzoate;methane
PubChem CID157306194
Molecular FormulaC105H113Cl3N14O16
Molecular Weight1933.50 g/mol
Exact Mass1930.75
IUPAC Name3-(4-aminophenoxy)benzamide;4-chloro-7-(3-chloropropoxy)-6-methoxyquinoline-3-carbonitrile;3-[4-[[7-(3-chloropropoxy)-3-cyano-6-methoxyquinolin-4-yl]amino]phenoxy]benzamide;3-[4-[[3-cyano-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]amino]phenoxy]benzamide;ethyl 3-(4-aminophenoxy)benzoate;methane
SMILESC.C.C.C.C.CCOC(=O)c1cccc(Oc2ccc(N)cc2)c1.COc1cc2c(Cl)c(C#N)cnc2cc1OCCCCl.COc1cc2c(Nc3ccc(Oc4cccc(C(N)=O)c4)cc3)c(C#N)cnc2cc1OCCCCl.COc1cc2c(Nc3ccc(Oc4cccc(C(N)=O)c4)cc3)c(C#N)cnc2cc1OCCCN1CCOCC1.NC(=O)c1cccc(Oc2ccc(N)cc2)c1
InChIInChI=1S/C31H31N5O5.C27H23ClN4O4.C15H15NO3.C14H12Cl2N2O2.C13H12N2O2.5CH4/c1-38-28-17-26-27(18-29(28)40-13-3-10-36-11-14-39-15-12-36)34-20-22(19-32)30(26)35-23-6-8-24(9-7-23)41-25-5-2-4-21(16-25)31(33)37;1-34-24-13-22-23(14-25(24)35-11-3-10-28)31-16-18(15-29)26(22)32-19-6-8-20(9-7-19)36-21-5-2-4-17(12-21)27(30)33;1-2-18-15(17)11-4-3-5-14(10-11)19-13-8-6-12(16)7-9-13;1-19-12-5-10-11(6-13(12)20-4-2-3-15)18-8-9(7-17)14(10)16;14-10-4-6-11(7-5-10)17-12-3-1-2-9(8-12)13(15)16;;;;;/h2,4-9,16-18,20H,3,10-15H2,1H3,(H2,33,37)(H,34,35);2,4-9,12-14,16H,3,10-11H2,1H3,(H2,30,33)(H,31,32);3-10H,2,16H2,1H3;5-6,8H,2-4H2,1H3;1-8H,14H2,(H2,15,16);5*1H4
InChIKeyBCMRPTPGPRPEQK-UHFFFAOYSA-N
XLogP22.96
TPSA446.48 Ų
H-Bond Donors7
H-Bond Acceptors27
Rotatable Bonds33
Heavy Atoms138
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001933.50
LogP ≤ 522.96
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 3-(4-aminophenoxy)benzamide;4-chloro-7-(3-chloropropoxy)-6-methoxyquinoline-3-carbonitrile;3-[4-[[7-(3-chloropropoxy)-3-cyano-6-methoxyquinolin-4-yl]amino]phenoxy]benzamide;3-[4-[[3-cyano-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]amino]phenoxy]benzamide;ethyl 3-(4-aminophenoxy)benzoate;methane with MolForge

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Related Compounds

4-chloro-7-(3-chloropropoxy)-6-methoxyquinoline-3-carbonitrile;7-(3-chloropropoxy)-6-methoxy-4-[4-(1,2-thiazol-3-yloxy)anilino]quinoline-3-carbonitrile;4-(1,2-thiazol-3-yloxy)aniline
CID 161107350
7-[3-[4-(hydroxymethyl)piperidin-1-yl]propoxy]-6-methoxy-4-[4-(2-methoxyphenoxy)anilino]quinoline-3-carbonitrile
CID 21035063
N-[4-[[3-cyano-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]amino]phenyl]benzenesulfonamide
CID 59095490
6-methoxy-7-[3-[4-[6-[2-[2-(6-oxohexoxy)ethoxy]ethoxy]hexyl]piperazin-1-yl]propoxy]-4-(4-phenoxyanilino)quinoline-3-carbonitrile
CID 169001300
2-[3-[4-[[7-(3-chloropropoxy)-3-cyano-6-methoxyquinolin-4-yl]amino]phenoxy]phenoxy]-N-cyclobutylacetamide
CID 142026555
2-[4-[[7-methoxy-6-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]phenoxy]benzonitrile
CID 175809881
4-(4-chloro-2-fluoroanilino)-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinoline-3-carbonitrile
CID 10140112
ethyl 1-[3-[3-cyano-4-(2,4-dichloro-5-methoxyanilino)-6-methoxyquinolin-7-yl]oxypropyl]piperidine-4-carboxylate
CID 11678731
7-[3-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]propoxy]-6-methoxy-4-[4-(2-methoxyphenoxy)anilino]quinoline-3-carbonitrile
CID 58651257
6-methoxy-4-methyl-7-(3-morpholin-4-ylpropoxy)quinoline-3-carbonitrile
CID 149186313
CID 157321460
CID 157321460
3-cyano-6-methoxy-4-[4-(2-methoxyphenoxy)anilino]quinoline-7-carboxylic acid
CID 21035019

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminophenoxy)benzamide;4-chloro-7-(3-chloropropoxy)-6-methoxyquinoline-3-carbonitrile;3-[4-[[7-(3-chloropropoxy)-3-cyano-6-methoxyquinolin-4-yl]amino]phenoxy]benzamide;3-[4-[[3-cyano-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]amino]phenoxy]benzamide;ethyl 3-(4-aminophenoxy)benzoate;methane?
The IUPAC name of 3-(4-aminophenoxy)benzamide;4-chloro-7-(3-chloropropoxy)-6-methoxyquinoline-3-carbonitrile;3-[4-[[7-(3-chloropropoxy)-3-cyano-6-methoxyquinolin-4-yl]amino]phenoxy]benzamide;3-[4-[[3-cyano-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]amino]phenoxy]benzamide;ethyl 3-(4-aminophenoxy)benzoate;methane (CID 157306194) is 3-(4-aminophenoxy)benzamide;4-chloro-7-(3-chloropropoxy)-6-methoxyquinoline-3-carbonitrile;3-[4-[[7-(3-chloropropoxy)-3-cyano-6-methoxyquinolin-4-yl]amino]phenoxy]benzamide;3-[4-[[3-cyano-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]amino]phenoxy]benzamide;ethyl 3-(4-aminophenoxy)benzoate;methane.
What is the SMILES notation for 3-(4-aminophenoxy)benzamide;4-chloro-7-(3-chloropropoxy)-6-methoxyquinoline-3-carbonitrile;3-[4-[[7-(3-chloropropoxy)-3-cyano-6-methoxyquinolin-4-yl]amino]phenoxy]benzamide;3-[4-[[3-cyano-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]amino]phenoxy]benzamide;ethyl 3-(4-aminophenoxy)benzoate;methane?
The canonical SMILES for 3-(4-aminophenoxy)benzamide;4-chloro-7-(3-chloropropoxy)-6-methoxyquinoline-3-carbonitrile;3-[4-[[7-(3-chloropropoxy)-3-cyano-6-methoxyquinolin-4-yl]amino]phenoxy]benzamide;3-[4-[[3-cyano-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]amino]phenoxy]benzamide;ethyl 3-(4-aminophenoxy)benzoate;methane is C.C.C.C.C.CCOC(=O)c1cccc(Oc2ccc(N)cc2)c1.COc1cc2c(Cl)c(C#N)cnc2cc1OCCCCl.COc1cc2c(Nc3ccc(Oc4cccc(C(N)=O)c4)cc3)c(C#N)cnc2cc1OCCCCl.COc1cc2c(Nc3ccc(Oc4cccc(C(N)=O)c4)cc3)c(C#N)cnc2cc1OCCCN1CCOCC1.NC(=O)c1cccc(Oc2ccc(N)cc2)c1.
What is the InChIKey of 3-(4-aminophenoxy)benzamide;4-chloro-7-(3-chloropropoxy)-6-methoxyquinoline-3-carbonitrile;3-[4-[[7-(3-chloropropoxy)-3-cyano-6-methoxyquinolin-4-yl]amino]phenoxy]benzamide;3-[4-[[3-cyano-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]amino]phenoxy]benzamide;ethyl 3-(4-aminophenoxy)benzoate;methane?
The InChIKey is BCMRPTPGPRPEQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H31N5O5.C27H23ClN4O4.C15H15NO3.C14H12Cl2N2O2.C13H12N2O2.5CH4/c1-38-28-17-26-27(18-29(28)40-13-3-10-36-11-14-39-15-12-36)34-20-22(19-32)30(26)35-23-6-8-24(9-7-23)41-25-5-2-4-21(16-25)31(33)37;1-34-24-13-22-23(14-25(24)35-11-3-10-28)31-16-18(15-29)26(22)32-19-6-8-20(9-7-19)36-21-5-2-4-17(12-21)27(30)33;1-2-18-15(17)11-4-3-5-14(10-11)19-13-8-6-12(16)7-9-13;1-19-12-5-10-11(6-13(12)20-4-2-3-15)18-8-9(7-17)14(10)16;14-10-4-6-11(7-5-10)17-12-3-1-2-9(8-12)13(15)16;;;;;/h2,4-9,16-18,20H,3,10-15H2,1H3,(H2,33,37)(H,34,35);2,4-9,12-14,16H,3,10-11H2,1H3,(H2,30,33)(H,31,32);3-10H,2,16H2,1H3;5-6,8H,2-4H2,1H3;1-8H,14H2,(H2,15,16);5*1H4.
What are the key properties of 3-(4-aminophenoxy)benzamide;4-chloro-7-(3-chloropropoxy)-6-methoxyquinoline-3-carbonitrile;3-[4-[[7-(3-chloropropoxy)-3-cyano-6-methoxyquinolin-4-yl]amino]phenoxy]benzamide;3-[4-[[3-cyano-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]amino]phenoxy]benzamide;ethyl 3-(4-aminophenoxy)benzoate;methane?
3-(4-aminophenoxy)benzamide;4-chloro-7-(3-chloropropoxy)-6-methoxyquinoline-3-carbonitrile;3-[4-[[7-(3-chloropropoxy)-3-cyano-6-methoxyquinolin-4-yl]amino]phenoxy]benzamide;3-[4-[[3-cyano-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]amino]phenoxy]benzamide;ethyl 3-(4-aminophenoxy)benzoate;methane has a molecular weight of 1933.50 g/mol, XLogP of 22.96, 33 rotatable bonds, 7 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminophenoxy)benzamide;4-chloro-7-(3-chloropropoxy)-6-methoxyquinoline-3-carbonitrile;3-[4-[[7-(3-chloropropoxy)-3-cyano-6-methoxyquinolin-4-yl]amino]phenoxy]benzamide;3-[4-[[3-cyano-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]amino]phenoxy]benzamide;ethyl 3-(4-aminophenoxy)benzoate;methane is sourced from PubChem (CID 157306194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).