N-butyl-7-[(3-chlorophenyl)methoxy]quinoline-3-carboxamide;1-[7-[(3-chlorophenyl)methoxy]quinolin-3-yl]propan-2-one;ethyl 2-[7-[(3-chlorophenyl)methoxy]quinolin-3-yl]acetate;ethyl 2-[7-[(4-fluorophenyl)methoxy]quinolin-3-yl]acetate;1-[7-[(3-fluorophenyl)methoxy]quinolin-3-yl]propan-2-one;1-[7-[(4-fluorophenyl)methoxy]quinolin-3-yl]propan-2-one;methyl 2-[7-[(3-chlorophenyl)methoxy]quinolin-3-yl]acetate

C137H121Cl4F3N8O17 — CID 158319234

IUPACN-butyl-7-[(3-chlorophenyl)methoxy]quinoline-3-carboxamide;1-[7-[(3-chlorophenyl)methoxy]quinolin-3-yl]propan-2-one;ethyl 2-[7-[(3-chlorophenyl)methoxy]quinolin-3-yl]acetate;ethyl 2-[7-[(4-fluorophenyl)methoxy]quinolin-3-yl]acetate;1-[7-[(3-fluorophenyl)methoxy]quinolin-3-yl]propan-2-one;1-[7-[(4-fluorophenyl)methoxy]quinolin-3-yl]propan-2-one;methyl 2-[7-[(3-chlorophenyl)methoxy]quinolin-3-yl]acetate
SMILESCC(=O)Cc1cnc2cc(OCc3ccc(F)cc3)ccc2c1.CC(=O)Cc1cnc2cc(OCc3cccc(Cl)c3)ccc2c1.CC(=O)Cc1cnc2cc(OCc3cccc(F)c3)ccc2c1.CCCCNC(=O)c1cnc2cc(OCc3cccc(Cl)c3)ccc2c1.CCOC(=O)Cc1cnc2cc(OCc3ccc(F)cc3)ccc2c1.CCOC(=O)Cc1cnc2cc(OCc3cccc(Cl)c3)ccc2c1.COC(=O)Cc1cnc2cc(OCc3cccc(Cl)c3)ccc2c1
InChIInChI=1S/C21H21ClN2O2.C20H18ClNO3.C20H18FNO3.C19H16ClNO3.C19H16ClNO2.2C19H16FNO2/c1-2-3-9-23-21(25)17-11-16-7-8-19(12-20(16)24-13-17)26-14-15-5-4-6-18(22)10-15;1-2-24-20(23)10-15-8-16-6-7-18(11-19(16)22-12-15)25-13-14-4-3-5-17(21)9-14;1-2-24-20(23)10-15-9-16-5-8-18(11-19(16)22-12-15)25-13-14-3-6-17(21)7-4-14;1-23-19(22)9-14-7-15-5-6-17(10-18(15)21-11-14)24-12-13-3-2-4-16(20)8-13;1-13(22)7-15-8-16-5-6-18(10-19(16)21-11-15)23-12-14-3-2-4-17(20)9-14;1-13(22)8-15-9-16-4-7-18(10-19(16)21-11-15)23-12-14-2-5-17(20)6-3-14;1-13(22)7-15-8-16-5-6-18(10-19(16)21-11-15)23-12-14-3-2-4-17(20)9-14/h4-8,10-13H,2-3,9,14H2,1H3,(H,23,25);2*3-9,11-12H,2,10,13H2,1H3;2-8,10-11H,9,12H2,1H3;2-6,8-11H,7,12H2,1H3;2-7,9-11H,8,12H2,1H3;2-6,8-11H,7,12H2,1H3
InChIKeyGOQFUJXUQTYWFU-UHFFFAOYSA-N
MW2350.32 g/mol
LogP30.58
Rot. Bonds39

About N-butyl-7-[(3-chlorophenyl)methoxy]quinoline-3-carboxamide;1-[7-[(3-chlorophenyl)methoxy]quinolin-3-yl]propan-2-one;ethyl 2-[7-[(3-chlorophenyl)methoxy]quinolin-3-yl]acetate;ethyl 2-[7-[(4-fluorophenyl)methoxy]quinolin-3-yl]acetate;1-[7-[(3-fluorophenyl)methoxy]quinolin-3-yl]propan-2-one;1-[7-[(4-fluorophenyl)methoxy]quinolin-3-yl]propan-2-one;methyl 2-[7-[(3-chlorophenyl)methoxy]quinolin-3-yl]acetate

N-butyl-7-[(3-chlorophenyl)methoxy]quinoline-3-carboxamide;1-[7-[(3-chlorophenyl)methoxy]quinolin-3-yl]propan-2-one;ethyl 2-[7-[(3-chlorophenyl)methoxy]quinolin-3-yl]acetate;ethyl 2-[7-[(4-fluorophenyl)methoxy]quinolin-3-yl]acetate;1-[7-[(3-fluorophenyl)methoxy]quinolin-3-yl]propan-2-one;1-[7-[(4-fluorophenyl)methoxy]quinolin-3-yl]propan-2-one;methyl 2-[7-[(3-chlorophenyl)methoxy]quinolin-3-yl]acetate (PubChem CID 158319234) has the molecular formula C137H121Cl4F3N8O17 and a molecular weight of 2350.32 g/mol. Its IUPAC name is N-butyl-7-[(3-chlorophenyl)methoxy]quinoline-3-carboxamide;1-[7-[(3-chlorophenyl)methoxy]quinolin-3-yl]propan-2-one;ethyl 2-[7-[(3-chlorophenyl)methoxy]quinolin-3-yl]acetate;ethyl 2-[7-[(4-fluorophenyl)methoxy]quinolin-3-yl]acetate;1-[7-[(3-fluorophenyl)methoxy]quinolin-3-yl]propan-2-one;1-[7-[(4-fluorophenyl)methoxy]quinolin-3-yl]propan-2-one;methyl 2-[7-[(3-chlorophenyl)methoxy]quinolin-3-yl]acetate.

Molecular Properties

Compound NameN-butyl-7-[(3-chlorophenyl)methoxy]quinoline-3-carboxamide;1-[7-[(3-chlorophenyl)methoxy]quinolin-3-yl]propan-2-one;ethyl 2-[7-[(3-chlorophenyl)methoxy]quinolin-3-yl]acetate;ethyl 2-[7-[(4-fluorophenyl)methoxy]quinolin-3-yl]acetate;1-[7-[(3-fluorophenyl)methoxy]quinolin-3-yl]propan-2-one;1-[7-[(4-fluorophenyl)methoxy]quinolin-3-yl]propan-2-one;methyl 2-[7-[(3-chlorophenyl)methoxy]quinolin-3-yl]acetate
PubChem CID158319234
Molecular FormulaC137H121Cl4F3N8O17
Molecular Weight2350.32 g/mol
Exact Mass2346.76
IUPAC NameN-butyl-7-[(3-chlorophenyl)methoxy]quinoline-3-carboxamide;1-[7-[(3-chlorophenyl)methoxy]quinolin-3-yl]propan-2-one;ethyl 2-[7-[(3-chlorophenyl)methoxy]quinolin-3-yl]acetate;ethyl 2-[7-[(4-fluorophenyl)methoxy]quinolin-3-yl]acetate;1-[7-[(3-fluorophenyl)methoxy]quinolin-3-yl]propan-2-one;1-[7-[(4-fluorophenyl)methoxy]quinolin-3-yl]propan-2-one;methyl 2-[7-[(3-chlorophenyl)methoxy]quinolin-3-yl]acetate
SMILESCC(=O)Cc1cnc2cc(OCc3ccc(F)cc3)ccc2c1.CC(=O)Cc1cnc2cc(OCc3cccc(Cl)c3)ccc2c1.CC(=O)Cc1cnc2cc(OCc3cccc(F)c3)ccc2c1.CCCCNC(=O)c1cnc2cc(OCc3cccc(Cl)c3)ccc2c1.CCOC(=O)Cc1cnc2cc(OCc3ccc(F)cc3)ccc2c1.CCOC(=O)Cc1cnc2cc(OCc3cccc(Cl)c3)ccc2c1.COC(=O)Cc1cnc2cc(OCc3cccc(Cl)c3)ccc2c1
InChIInChI=1S/C21H21ClN2O2.C20H18ClNO3.C20H18FNO3.C19H16ClNO3.C19H16ClNO2.2C19H16FNO2/c1-2-3-9-23-21(25)17-11-16-7-8-19(12-20(16)24-13-17)26-14-15-5-4-6-18(22)10-15;1-2-24-20(23)10-15-8-16-6-7-18(11-19(16)22-12-15)25-13-14-4-3-5-17(21)9-14;1-2-24-20(23)10-15-9-16-5-8-18(11-19(16)22-12-15)25-13-14-3-6-17(21)7-4-14;1-23-19(22)9-14-7-15-5-6-17(10-18(15)21-11-14)24-12-13-3-2-4-16(20)8-13;1-13(22)7-15-8-16-5-6-18(10-19(16)21-11-15)23-12-14-3-2-4-17(20)9-14;1-13(22)8-15-9-16-4-7-18(10-19(16)21-11-15)23-12-14-2-5-17(20)6-3-14;1-13(22)7-15-8-16-5-6-18(10-19(16)21-11-15)23-12-14-3-2-4-17(20)9-14/h4-8,10-13H,2-3,9,14H2,1H3,(H,23,25);2*3-9,11-12H,2,10,13H2,1H3;2-8,10-11H,9,12H2,1H3;2-6,8-11H,7,12H2,1H3;2-7,9-11H,8,12H2,1H3;2-6,8-11H,7,12H2,1H3
InChIKeyGOQFUJXUQTYWFU-UHFFFAOYSA-N
XLogP30.58
TPSA314.05 Ų
H-Bond Donors1
H-Bond Acceptors24
Rotatable Bonds39
Heavy Atoms169
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002350.32
LogP ≤ 530.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-butyl-7-[(3-chlorophenyl)methoxy]quinoline-3-carboxamide;1-[7-[(3-chlorophenyl)methoxy]quinolin-3-yl]propan-2-one;ethyl 2-[7-[(3-chlorophenyl)methoxy]quinolin-3-yl]acetate;ethyl 2-[7-[(4-fluorophenyl)methoxy]quinolin-3-yl]acetate;1-[7-[(3-fluorophenyl)methoxy]quinolin-3-yl]propan-2-one;1-[7-[(4-fluorophenyl)methoxy]quinolin-3-yl]propan-2-one;methyl 2-[7-[(3-chlorophenyl)methoxy]quinolin-3-yl]acetate with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-butyl-7-[(3-chlorophenyl)methoxy]quinoline-3-carboxamide;1-[7-[(3-chlorophenyl)methoxy]quinolin-3-yl]propan-2-one;ethyl 2-[7-[(3-chlorophenyl)methoxy]quinolin-3-yl]acetate;ethyl 2-[7-[(4-fluorophenyl)methoxy]quinolin-3-yl]acetate;1-[7-[(3-fluorophenyl)methoxy]quinolin-3-yl]propan-2-one;1-[7-[(4-fluorophenyl)methoxy]quinolin-3-yl]propan-2-one;methyl 2-[7-[(3-chlorophenyl)methoxy]quinolin-3-yl]acetate?
The IUPAC name of N-butyl-7-[(3-chlorophenyl)methoxy]quinoline-3-carboxamide;1-[7-[(3-chlorophenyl)methoxy]quinolin-3-yl]propan-2-one;ethyl 2-[7-[(3-chlorophenyl)methoxy]quinolin-3-yl]acetate;ethyl 2-[7-[(4-fluorophenyl)methoxy]quinolin-3-yl]acetate;1-[7-[(3-fluorophenyl)methoxy]quinolin-3-yl]propan-2-one;1-[7-[(4-fluorophenyl)methoxy]quinolin-3-yl]propan-2-one;methyl 2-[7-[(3-chlorophenyl)methoxy]quinolin-3-yl]acetate (CID 158319234) is N-butyl-7-[(3-chlorophenyl)methoxy]quinoline-3-carboxamide;1-[7-[(3-chlorophenyl)methoxy]quinolin-3-yl]propan-2-one;ethyl 2-[7-[(3-chlorophenyl)methoxy]quinolin-3-yl]acetate;ethyl 2-[7-[(4-fluorophenyl)methoxy]quinolin-3-yl]acetate;1-[7-[(3-fluorophenyl)methoxy]quinolin-3-yl]propan-2-one;1-[7-[(4-fluorophenyl)methoxy]quinolin-3-yl]propan-2-one;methyl 2-[7-[(3-chlorophenyl)methoxy]quinolin-3-yl]acetate.
What is the SMILES notation for N-butyl-7-[(3-chlorophenyl)methoxy]quinoline-3-carboxamide;1-[7-[(3-chlorophenyl)methoxy]quinolin-3-yl]propan-2-one;ethyl 2-[7-[(3-chlorophenyl)methoxy]quinolin-3-yl]acetate;ethyl 2-[7-[(4-fluorophenyl)methoxy]quinolin-3-yl]acetate;1-[7-[(3-fluorophenyl)methoxy]quinolin-3-yl]propan-2-one;1-[7-[(4-fluorophenyl)methoxy]quinolin-3-yl]propan-2-one;methyl 2-[7-[(3-chlorophenyl)methoxy]quinolin-3-yl]acetate?
The canonical SMILES for N-butyl-7-[(3-chlorophenyl)methoxy]quinoline-3-carboxamide;1-[7-[(3-chlorophenyl)methoxy]quinolin-3-yl]propan-2-one;ethyl 2-[7-[(3-chlorophenyl)methoxy]quinolin-3-yl]acetate;ethyl 2-[7-[(4-fluorophenyl)methoxy]quinolin-3-yl]acetate;1-[7-[(3-fluorophenyl)methoxy]quinolin-3-yl]propan-2-one;1-[7-[(4-fluorophenyl)methoxy]quinolin-3-yl]propan-2-one;methyl 2-[7-[(3-chlorophenyl)methoxy]quinolin-3-yl]acetate is CC(=O)Cc1cnc2cc(OCc3ccc(F)cc3)ccc2c1.CC(=O)Cc1cnc2cc(OCc3cccc(Cl)c3)ccc2c1.CC(=O)Cc1cnc2cc(OCc3cccc(F)c3)ccc2c1.CCCCNC(=O)c1cnc2cc(OCc3cccc(Cl)c3)ccc2c1.CCOC(=O)Cc1cnc2cc(OCc3ccc(F)cc3)ccc2c1.CCOC(=O)Cc1cnc2cc(OCc3cccc(Cl)c3)ccc2c1.COC(=O)Cc1cnc2cc(OCc3cccc(Cl)c3)ccc2c1.
What is the InChIKey of N-butyl-7-[(3-chlorophenyl)methoxy]quinoline-3-carboxamide;1-[7-[(3-chlorophenyl)methoxy]quinolin-3-yl]propan-2-one;ethyl 2-[7-[(3-chlorophenyl)methoxy]quinolin-3-yl]acetate;ethyl 2-[7-[(4-fluorophenyl)methoxy]quinolin-3-yl]acetate;1-[7-[(3-fluorophenyl)methoxy]quinolin-3-yl]propan-2-one;1-[7-[(4-fluorophenyl)methoxy]quinolin-3-yl]propan-2-one;methyl 2-[7-[(3-chlorophenyl)methoxy]quinolin-3-yl]acetate?
The InChIKey is GOQFUJXUQTYWFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN2O2.C20H18ClNO3.C20H18FNO3.C19H16ClNO3.C19H16ClNO2.2C19H16FNO2/c1-2-3-9-23-21(25)17-11-16-7-8-19(12-20(16)24-13-17)26-14-15-5-4-6-18(22)10-15;1-2-24-20(23)10-15-8-16-6-7-18(11-19(16)22-12-15)25-13-14-4-3-5-17(21)9-14;1-2-24-20(23)10-15-9-16-5-8-18(11-19(16)22-12-15)25-13-14-3-6-17(21)7-4-14;1-23-19(22)9-14-7-15-5-6-17(10-18(15)21-11-14)24-12-13-3-2-4-16(20)8-13;1-13(22)7-15-8-16-5-6-18(10-19(16)21-11-15)23-12-14-3-2-4-17(20)9-14;1-13(22)8-15-9-16-4-7-18(10-19(16)21-11-15)23-12-14-2-5-17(20)6-3-14;1-13(22)7-15-8-16-5-6-18(10-19(16)21-11-15)23-12-14-3-2-4-17(20)9-14/h4-8,10-13H,2-3,9,14H2,1H3,(H,23,25);2*3-9,11-12H,2,10,13H2,1H3;2-8,10-11H,9,12H2,1H3;2-6,8-11H,7,12H2,1H3;2-7,9-11H,8,12H2,1H3;2-6,8-11H,7,12H2,1H3.
What are the key properties of N-butyl-7-[(3-chlorophenyl)methoxy]quinoline-3-carboxamide;1-[7-[(3-chlorophenyl)methoxy]quinolin-3-yl]propan-2-one;ethyl 2-[7-[(3-chlorophenyl)methoxy]quinolin-3-yl]acetate;ethyl 2-[7-[(4-fluorophenyl)methoxy]quinolin-3-yl]acetate;1-[7-[(3-fluorophenyl)methoxy]quinolin-3-yl]propan-2-one;1-[7-[(4-fluorophenyl)methoxy]quinolin-3-yl]propan-2-one;methyl 2-[7-[(3-chlorophenyl)methoxy]quinolin-3-yl]acetate?
N-butyl-7-[(3-chlorophenyl)methoxy]quinoline-3-carboxamide;1-[7-[(3-chlorophenyl)methoxy]quinolin-3-yl]propan-2-one;ethyl 2-[7-[(3-chlorophenyl)methoxy]quinolin-3-yl]acetate;ethyl 2-[7-[(4-fluorophenyl)methoxy]quinolin-3-yl]acetate;1-[7-[(3-fluorophenyl)methoxy]quinolin-3-yl]propan-2-one;1-[7-[(4-fluorophenyl)methoxy]quinolin-3-yl]propan-2-one;methyl 2-[7-[(3-chlorophenyl)methoxy]quinolin-3-yl]acetate has a molecular weight of 2350.32 g/mol, XLogP of 30.58, 39 rotatable bonds, 1 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-7-[(3-chlorophenyl)methoxy]quinoline-3-carboxamide;1-[7-[(3-chlorophenyl)methoxy]quinolin-3-yl]propan-2-one;ethyl 2-[7-[(3-chlorophenyl)methoxy]quinolin-3-yl]acetate;ethyl 2-[7-[(4-fluorophenyl)methoxy]quinolin-3-yl]acetate;1-[7-[(3-fluorophenyl)methoxy]quinolin-3-yl]propan-2-one;1-[7-[(4-fluorophenyl)methoxy]quinolin-3-yl]propan-2-one;methyl 2-[7-[(3-chlorophenyl)methoxy]quinolin-3-yl]acetate is sourced from PubChem (CID 158319234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).