N-[6-(bromomethyl)quinolin-2-yl]acetamide;2-chloro-6-methylquinoline;N-[6-[[2-(3-fluorophenyl)ethylamino]methyl]quinolin-2-yl]acetamide;(E)-1-(4-methylphenyl)-4-phenylbut-3-en-2-one;6-methyl-1H-quinolin-2-one;N-(6-methylquinolin-2-yl)acetamide

C81H76BrClFN9O5 — CID 160717122

IUPACN-[6-(bromomethyl)quinolin-2-yl]acetamide;2-chloro-6-methylquinoline;N-[6-[[2-(3-fluorophenyl)ethylamino]methyl]quinolin-2-yl]acetamide;(E)-1-(4-methylphenyl)-4-phenylbut-3-en-2-one;6-methyl-1H-quinolin-2-one;N-(6-methylquinolin-2-yl)acetamide
SMILESCC(=O)Nc1ccc2cc(C)ccc2n1.CC(=O)Nc1ccc2cc(CBr)ccc2n1.CC(=O)Nc1ccc2cc(CNCCc3cccc(F)c3)ccc2n1.Cc1ccc(CC(=O)/C=C/c2ccccc2)cc1.Cc1ccc2[nH]c(=O)ccc2c1.Cc1ccc2nc(Cl)ccc2c1
InChIInChI=1S/C20H20FN3O.C17H16O.C12H11BrN2O.C12H12N2O.C10H8ClN.C10H9NO/c1-14(25)23-20-8-6-17-11-16(5-7-19(17)24-20)13-22-10-9-15-3-2-4-18(21)12-15;1-14-7-9-16(10-8-14)13-17(18)12-11-15-5-3-2-4-6-15;1-8(16)14-12-5-3-10-6-9(7-13)2-4-11(10)15-12;1-8-3-5-11-10(7-8)4-6-12(14-11)13-9(2)15;1-7-2-4-9-8(6-7)3-5-10(11)12-9;1-7-2-4-9-8(6-7)3-5-10(12)11-9/h2-8,11-12,22H,9-10,13H2,1H3,(H,23,24,25);2-12H,13H2,1H3;2-6H,7H2,1H3,(H,14,15,16);3-7H,1-2H3,(H,13,14,15);2-6H,1H3;2-6H,1H3,(H,11,12)/b;12-11+;;;;
InChIKeyRSPSAVRIUZILBF-XTYORQFYSA-N
MW1389.91 g/mol
LogP18.11
Rot. Bonds13

About N-[6-(bromomethyl)quinolin-2-yl]acetamide;2-chloro-6-methylquinoline;N-[6-[[2-(3-fluorophenyl)ethylamino]methyl]quinolin-2-yl]acetamide;(E)-1-(4-methylphenyl)-4-phenylbut-3-en-2-one;6-methyl-1H-quinolin-2-one;N-(6-methylquinolin-2-yl)acetamide

N-[6-(bromomethyl)quinolin-2-yl]acetamide;2-chloro-6-methylquinoline;N-[6-[[2-(3-fluorophenyl)ethylamino]methyl]quinolin-2-yl]acetamide;(E)-1-(4-methylphenyl)-4-phenylbut-3-en-2-one;6-methyl-1H-quinolin-2-one;N-(6-methylquinolin-2-yl)acetamide (PubChem CID 160717122) has the molecular formula C81H76BrClFN9O5 and a molecular weight of 1389.91 g/mol. Its IUPAC name is N-[6-(bromomethyl)quinolin-2-yl]acetamide;2-chloro-6-methylquinoline;N-[6-[[2-(3-fluorophenyl)ethylamino]methyl]quinolin-2-yl]acetamide;(E)-1-(4-methylphenyl)-4-phenylbut-3-en-2-one;6-methyl-1H-quinolin-2-one;N-(6-methylquinolin-2-yl)acetamide.

Molecular Properties

Compound NameN-[6-(bromomethyl)quinolin-2-yl]acetamide;2-chloro-6-methylquinoline;N-[6-[[2-(3-fluorophenyl)ethylamino]methyl]quinolin-2-yl]acetamide;(E)-1-(4-methylphenyl)-4-phenylbut-3-en-2-one;6-methyl-1H-quinolin-2-one;N-(6-methylquinolin-2-yl)acetamide
PubChem CID160717122
Molecular FormulaC81H76BrClFN9O5
Molecular Weight1389.91 g/mol
Exact Mass1387.48
IUPAC NameN-[6-(bromomethyl)quinolin-2-yl]acetamide;2-chloro-6-methylquinoline;N-[6-[[2-(3-fluorophenyl)ethylamino]methyl]quinolin-2-yl]acetamide;(E)-1-(4-methylphenyl)-4-phenylbut-3-en-2-one;6-methyl-1H-quinolin-2-one;N-(6-methylquinolin-2-yl)acetamide
SMILESCC(=O)Nc1ccc2cc(C)ccc2n1.CC(=O)Nc1ccc2cc(CBr)ccc2n1.CC(=O)Nc1ccc2cc(CNCCc3cccc(F)c3)ccc2n1.Cc1ccc(CC(=O)/C=C/c2ccccc2)cc1.Cc1ccc2[nH]c(=O)ccc2c1.Cc1ccc2nc(Cl)ccc2c1
InChIInChI=1S/C20H20FN3O.C17H16O.C12H11BrN2O.C12H12N2O.C10H8ClN.C10H9NO/c1-14(25)23-20-8-6-17-11-16(5-7-19(17)24-20)13-22-10-9-15-3-2-4-18(21)12-15;1-14-7-9-16(10-8-14)13-17(18)12-11-15-5-3-2-4-6-15;1-8(16)14-12-5-3-10-6-9(7-13)2-4-11(10)15-12;1-8-3-5-11-10(7-8)4-6-12(14-11)13-9(2)15;1-7-2-4-9-8(6-7)3-5-10(11)12-9;1-7-2-4-9-8(6-7)3-5-10(12)11-9/h2-8,11-12,22H,9-10,13H2,1H3,(H,23,24,25);2-12H,13H2,1H3;2-6H,7H2,1H3,(H,14,15,16);3-7H,1-2H3,(H,13,14,15);2-6H,1H3;2-6H,1H3,(H,11,12)/b;12-11+;;;;
InChIKeyRSPSAVRIUZILBF-XTYORQFYSA-N
XLogP18.11
TPSA200.82 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds13
Heavy Atoms98
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001389.91
LogP ≤ 518.11
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-[6-(bromomethyl)quinolin-2-yl]acetamide;2-chloro-6-methylquinoline;N-[6-[[2-(3-fluorophenyl)ethylamino]methyl]quinolin-2-yl]acetamide;(E)-1-(4-methylphenyl)-4-phenylbut-3-en-2-one;6-methyl-1H-quinolin-2-one;N-(6-methylquinolin-2-yl)acetamide with MolForge

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Related Compounds

2-chloro-6-methylquinoline;6-methyl-1H-quinolin-2-one
CID 158866664
N-[(4-fluorophenyl)methyl]-2-(3-methylphenyl)ethanamine
CID 62314975
(E)-1,5-bis(3-fluorophenyl)pent-1-en-3-one
CID 102288394
2-(3-methylphenyl)-N-[(3-methylphenyl)methyl]ethanamine
CID 55062468
3-(3-fluorophenyl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]propanamide
CID 110414954
2-chloro-N-[3-[[2-(3-fluorophenyl)ethylamino]methyl]phenyl]benzamide
CID 31563304
7-[[2-(3-fluorophenyl)ethylamino]methyl]quinolin-2-amine
CID 72771077
3-[[(3-fluorophenyl)methyl-(3-hydroxypropyl)amino]methyl]-6-methyl-1H-quinolin-2-one
CID 5047481
(E)-N-[(3-fluorophenyl)methyl]-N-[4-[2-oxo-2-(2-phenylethylamino)ethyl]phenyl]-3-phenylprop-2-enamide
CID 46046272
N-[2-[2-(3-fluorophenyl)ethylamino]ethyl]acetamide
CID 103605841
N-[4-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]phenyl]-N-[(3-methylphenyl)methyl]-3-phenylprop-2-enamide
CID 71957999
6-chloro-2-[2-(3-methylphenyl)ethylamino]pyridine-3-carboxylic acid
CID 63537357

Frequently Asked Questions

What is the IUPAC name of N-[6-(bromomethyl)quinolin-2-yl]acetamide;2-chloro-6-methylquinoline;N-[6-[[2-(3-fluorophenyl)ethylamino]methyl]quinolin-2-yl]acetamide;(E)-1-(4-methylphenyl)-4-phenylbut-3-en-2-one;6-methyl-1H-quinolin-2-one;N-(6-methylquinolin-2-yl)acetamide?
The IUPAC name of N-[6-(bromomethyl)quinolin-2-yl]acetamide;2-chloro-6-methylquinoline;N-[6-[[2-(3-fluorophenyl)ethylamino]methyl]quinolin-2-yl]acetamide;(E)-1-(4-methylphenyl)-4-phenylbut-3-en-2-one;6-methyl-1H-quinolin-2-one;N-(6-methylquinolin-2-yl)acetamide (CID 160717122) is N-[6-(bromomethyl)quinolin-2-yl]acetamide;2-chloro-6-methylquinoline;N-[6-[[2-(3-fluorophenyl)ethylamino]methyl]quinolin-2-yl]acetamide;(E)-1-(4-methylphenyl)-4-phenylbut-3-en-2-one;6-methyl-1H-quinolin-2-one;N-(6-methylquinolin-2-yl)acetamide.
What is the SMILES notation for N-[6-(bromomethyl)quinolin-2-yl]acetamide;2-chloro-6-methylquinoline;N-[6-[[2-(3-fluorophenyl)ethylamino]methyl]quinolin-2-yl]acetamide;(E)-1-(4-methylphenyl)-4-phenylbut-3-en-2-one;6-methyl-1H-quinolin-2-one;N-(6-methylquinolin-2-yl)acetamide?
The canonical SMILES for N-[6-(bromomethyl)quinolin-2-yl]acetamide;2-chloro-6-methylquinoline;N-[6-[[2-(3-fluorophenyl)ethylamino]methyl]quinolin-2-yl]acetamide;(E)-1-(4-methylphenyl)-4-phenylbut-3-en-2-one;6-methyl-1H-quinolin-2-one;N-(6-methylquinolin-2-yl)acetamide is CC(=O)Nc1ccc2cc(C)ccc2n1.CC(=O)Nc1ccc2cc(CBr)ccc2n1.CC(=O)Nc1ccc2cc(CNCCc3cccc(F)c3)ccc2n1.Cc1ccc(CC(=O)/C=C/c2ccccc2)cc1.Cc1ccc2[nH]c(=O)ccc2c1.Cc1ccc2nc(Cl)ccc2c1.
What is the InChIKey of N-[6-(bromomethyl)quinolin-2-yl]acetamide;2-chloro-6-methylquinoline;N-[6-[[2-(3-fluorophenyl)ethylamino]methyl]quinolin-2-yl]acetamide;(E)-1-(4-methylphenyl)-4-phenylbut-3-en-2-one;6-methyl-1H-quinolin-2-one;N-(6-methylquinolin-2-yl)acetamide?
The InChIKey is RSPSAVRIUZILBF-XTYORQFYSA-N. The full InChI is InChI=1S/C20H20FN3O.C17H16O.C12H11BrN2O.C12H12N2O.C10H8ClN.C10H9NO/c1-14(25)23-20-8-6-17-11-16(5-7-19(17)24-20)13-22-10-9-15-3-2-4-18(21)12-15;1-14-7-9-16(10-8-14)13-17(18)12-11-15-5-3-2-4-6-15;1-8(16)14-12-5-3-10-6-9(7-13)2-4-11(10)15-12;1-8-3-5-11-10(7-8)4-6-12(14-11)13-9(2)15;1-7-2-4-9-8(6-7)3-5-10(11)12-9;1-7-2-4-9-8(6-7)3-5-10(12)11-9/h2-8,11-12,22H,9-10,13H2,1H3,(H,23,24,25);2-12H,13H2,1H3;2-6H,7H2,1H3,(H,14,15,16);3-7H,1-2H3,(H,13,14,15);2-6H,1H3;2-6H,1H3,(H,11,12)/b;12-11+;;;;.
What are the key properties of N-[6-(bromomethyl)quinolin-2-yl]acetamide;2-chloro-6-methylquinoline;N-[6-[[2-(3-fluorophenyl)ethylamino]methyl]quinolin-2-yl]acetamide;(E)-1-(4-methylphenyl)-4-phenylbut-3-en-2-one;6-methyl-1H-quinolin-2-one;N-(6-methylquinolin-2-yl)acetamide?
N-[6-(bromomethyl)quinolin-2-yl]acetamide;2-chloro-6-methylquinoline;N-[6-[[2-(3-fluorophenyl)ethylamino]methyl]quinolin-2-yl]acetamide;(E)-1-(4-methylphenyl)-4-phenylbut-3-en-2-one;6-methyl-1H-quinolin-2-one;N-(6-methylquinolin-2-yl)acetamide has a molecular weight of 1389.91 g/mol, XLogP of 18.11, 13 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(bromomethyl)quinolin-2-yl]acetamide;2-chloro-6-methylquinoline;N-[6-[[2-(3-fluorophenyl)ethylamino]methyl]quinolin-2-yl]acetamide;(E)-1-(4-methylphenyl)-4-phenylbut-3-en-2-one;6-methyl-1H-quinolin-2-one;N-(6-methylquinolin-2-yl)acetamide is sourced from PubChem (CID 160717122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).