6-bromo-4-(2-bromoethoxy)-7-methoxyquinoline;6-bromo-4-chloro-7-methoxyquinoline;2-(6-bromo-7-methoxyquinolin-4-yl)oxyethanol;tert-butyl N-[[3-[1-[2-(6-bromo-7-methoxyquinolin-4-yl)oxyethyl]-6-oxopyridazin-3-yl]phenyl]methyl]carbamate;tert-butyl N-[[3-(6-chloropyridazin-3-yl)phenyl]methyl]carbamate;tert-butyl N-[[3-(6-oxo-1H-pyridazin-3-yl)phenyl]methyl]carbamate;3,6-dichloropyridazine

C98H98Br5Cl4N15O16 — CID 159185263

IUPAC6-bromo-4-(2-bromoethoxy)-7-methoxyquinoline;6-bromo-4-chloro-7-methoxyquinoline;2-(6-bromo-7-methoxyquinolin-4-yl)oxyethanol;tert-butyl N-[[3-[1-[2-(6-bromo-7-methoxyquinolin-4-yl)oxyethyl]-6-oxopyridazin-3-yl]phenyl]methyl]carbamate;tert-butyl N-[[3-(6-chloropyridazin-3-yl)phenyl]methyl]carbamate;tert-butyl N-[[3-(6-oxo-1H-pyridazin-3-yl)phenyl]methyl]carbamate;3,6-dichloropyridazine
SMILESCC(C)(C)OC(=O)NCc1cccc(-c2ccc(=O)[nH]n2)c1.CC(C)(C)OC(=O)NCc1cccc(-c2ccc(Cl)nn2)c1.COc1cc2nccc(Cl)c2cc1Br.COc1cc2nccc(OCCBr)c2cc1Br.COc1cc2nccc(OCCO)c2cc1Br.COc1cc2nccc(OCCn3nc(-c4cccc(CNC(=O)OC(C)(C)C)c4)ccc3=O)c2cc1Br.Clc1ccc(Cl)nn1
InChIInChI=1S/C28H29BrN4O5.C16H18ClN3O2.C16H19N3O3.C12H11Br2NO2.C12H12BrNO3.C10H7BrClNO.C4H2Cl2N2/c1-28(2,3)38-27(35)31-17-18-6-5-7-19(14-18)22-8-9-26(34)33(32-22)12-13-37-24-10-11-30-23-16-25(36-4)21(29)15-20(23)24;1-16(2,3)22-15(21)18-10-11-5-4-6-12(9-11)13-7-8-14(17)20-19-13;1-16(2,3)22-15(21)17-10-11-5-4-6-12(9-11)13-7-8-14(20)19-18-13;1-16-12-7-10-8(6-9(12)14)11(2-4-15-10)17-5-3-13;1-16-12-7-10-8(6-9(12)13)11(2-3-14-10)17-5-4-15;1-14-10-5-9-6(4-7(10)11)8(12)2-3-13-9;5-3-1-2-4(6)8-7-3/h5-11,14-16H,12-13,17H2,1-4H3,(H,31,35);4-9H,10H2,1-3H3,(H,18,21);4-9H,10H2,1-3H3,(H,17,21)(H,19,20);2,4,6-7H,3,5H2,1H3;2-3,6-7,15H,4-5H2,1H3;2-5H,1H3;1-2H
InChIKeyKNKGTKDALLUKLX-UHFFFAOYSA-N
MW2283.28 g/mol
LogP23.22
Rot. Bonds23

About 6-bromo-4-(2-bromoethoxy)-7-methoxyquinoline;6-bromo-4-chloro-7-methoxyquinoline;2-(6-bromo-7-methoxyquinolin-4-yl)oxyethanol;tert-butyl N-[[3-[1-[2-(6-bromo-7-methoxyquinolin-4-yl)oxyethyl]-6-oxopyridazin-3-yl]phenyl]methyl]carbamate;tert-butyl N-[[3-(6-chloropyridazin-3-yl)phenyl]methyl]carbamate;tert-butyl N-[[3-(6-oxo-1H-pyridazin-3-yl)phenyl]methyl]carbamate;3,6-dichloropyridazine

6-bromo-4-(2-bromoethoxy)-7-methoxyquinoline;6-bromo-4-chloro-7-methoxyquinoline;2-(6-bromo-7-methoxyquinolin-4-yl)oxyethanol;tert-butyl N-[[3-[1-[2-(6-bromo-7-methoxyquinolin-4-yl)oxyethyl]-6-oxopyridazin-3-yl]phenyl]methyl]carbamate;tert-butyl N-[[3-(6-chloropyridazin-3-yl)phenyl]methyl]carbamate;tert-butyl N-[[3-(6-oxo-1H-pyridazin-3-yl)phenyl]methyl]carbamate;3,6-dichloropyridazine (PubChem CID 159185263) has the molecular formula C98H98Br5Cl4N15O16 and a molecular weight of 2283.28 g/mol. Its IUPAC name is 6-bromo-4-(2-bromoethoxy)-7-methoxyquinoline;6-bromo-4-chloro-7-methoxyquinoline;2-(6-bromo-7-methoxyquinolin-4-yl)oxyethanol;tert-butyl N-[[3-[1-[2-(6-bromo-7-methoxyquinolin-4-yl)oxyethyl]-6-oxopyridazin-3-yl]phenyl]methyl]carbamate;tert-butyl N-[[3-(6-chloropyridazin-3-yl)phenyl]methyl]carbamate;tert-butyl N-[[3-(6-oxo-1H-pyridazin-3-yl)phenyl]methyl]carbamate;3,6-dichloropyridazine.

Molecular Properties

Compound Name6-bromo-4-(2-bromoethoxy)-7-methoxyquinoline;6-bromo-4-chloro-7-methoxyquinoline;2-(6-bromo-7-methoxyquinolin-4-yl)oxyethanol;tert-butyl N-[[3-[1-[2-(6-bromo-7-methoxyquinolin-4-yl)oxyethyl]-6-oxopyridazin-3-yl]phenyl]methyl]carbamate;tert-butyl N-[[3-(6-chloropyridazin-3-yl)phenyl]methyl]carbamate;tert-butyl N-[[3-(6-oxo-1H-pyridazin-3-yl)phenyl]methyl]carbamate;3,6-dichloropyridazine
PubChem CID159185263
Molecular FormulaC98H98Br5Cl4N15O16
Molecular Weight2283.28 g/mol
Exact Mass2275.20
IUPAC Name6-bromo-4-(2-bromoethoxy)-7-methoxyquinoline;6-bromo-4-chloro-7-methoxyquinoline;2-(6-bromo-7-methoxyquinolin-4-yl)oxyethanol;tert-butyl N-[[3-[1-[2-(6-bromo-7-methoxyquinolin-4-yl)oxyethyl]-6-oxopyridazin-3-yl]phenyl]methyl]carbamate;tert-butyl N-[[3-(6-chloropyridazin-3-yl)phenyl]methyl]carbamate;tert-butyl N-[[3-(6-oxo-1H-pyridazin-3-yl)phenyl]methyl]carbamate;3,6-dichloropyridazine
SMILESCC(C)(C)OC(=O)NCc1cccc(-c2ccc(=O)[nH]n2)c1.CC(C)(C)OC(=O)NCc1cccc(-c2ccc(Cl)nn2)c1.COc1cc2nccc(Cl)c2cc1Br.COc1cc2nccc(OCCBr)c2cc1Br.COc1cc2nccc(OCCO)c2cc1Br.COc1cc2nccc(OCCn3nc(-c4cccc(CNC(=O)OC(C)(C)C)c4)ccc3=O)c2cc1Br.Clc1ccc(Cl)nn1
InChIInChI=1S/C28H29BrN4O5.C16H18ClN3O2.C16H19N3O3.C12H11Br2NO2.C12H12BrNO3.C10H7BrClNO.C4H2Cl2N2/c1-28(2,3)38-27(35)31-17-18-6-5-7-19(14-18)22-8-9-26(34)33(32-22)12-13-37-24-10-11-30-23-16-25(36-4)21(29)15-20(23)24;1-16(2,3)22-15(21)18-10-11-5-4-6-12(9-11)13-7-8-14(17)20-19-13;1-16(2,3)22-15(21)17-10-11-5-4-6-12(9-11)13-7-8-14(20)19-18-13;1-16-12-7-10-8(6-9(12)14)11(2-4-15-10)17-5-3-13;1-16-12-7-10-8(6-9(12)13)11(2-3-14-10)17-5-4-15;1-14-10-5-9-6(4-7(10)11)8(12)2-3-13-9;5-3-1-2-4(6)8-7-3/h5-11,14-16H,12-13,17H2,1-4H3,(H,31,35);4-9H,10H2,1-3H3,(H,18,21);4-9H,10H2,1-3H3,(H,17,21)(H,19,20);2,4,6-7H,3,5H2,1H3;2-3,6-7,15H,4-5H2,1H3;2-5H,1H3;1-2H
InChIKeyKNKGTKDALLUKLX-UHFFFAOYSA-N
XLogP23.22
TPSA383.59 Ų
H-Bond Donors5
H-Bond Acceptors27
Rotatable Bonds23
Heavy Atoms138
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002283.28
LogP ≤ 523.22
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

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

Analyze 6-bromo-4-(2-bromoethoxy)-7-methoxyquinoline;6-bromo-4-chloro-7-methoxyquinoline;2-(6-bromo-7-methoxyquinolin-4-yl)oxyethanol;tert-butyl N-[[3-[1-[2-(6-bromo-7-methoxyquinolin-4-yl)oxyethyl]-6-oxopyridazin-3-yl]phenyl]methyl]carbamate;tert-butyl N-[[3-(6-chloropyridazin-3-yl)phenyl]methyl]carbamate;tert-butyl N-[[3-(6-oxo-1H-pyridazin-3-yl)phenyl]methyl]carbamate;3,6-dichloropyridazine with MolForge

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Related Compounds

tert-butyl N-[[3-[1-[2-(6-formyl-7-methoxyquinolin-4-yl)oxyethyl]-6-oxopyridazin-3-yl]phenyl]methyl]carbamate
CID 59843057
[3-[1-[2-[6-(1,2-dihydroxyethyl)-7-methoxyquinolin-4-yl]oxyethyl]-6-oxopyridazin-3-yl]phenyl]methylcarbamic acid
CID 68818486
[3-[1-[2-[6-(1,2-dihydroxyethyl)-7-methoxyquinolin-4-yl]oxyethyl]-6-oxopyridazin-3-yl]phenyl]-methylcarbamic acid
CID 68818487
6-[4-[(1S)-1-aminoethyl]-3-chlorophenyl]-2-[2-(7-methoxyquinolin-4-yl)oxyethyl]pyridazin-3-one
CID 59843083
tert-butyl N-[[3-(2-hydroxyethoxy)phenyl]methyl]carbamate
CID 167192366
methyl 2-[2-bromo-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenoxy]acetate
CID 67256823
tert-butyl N-[[3-(5-carbamoyl-2-chlorophenyl)phenyl]methyl]carbamate
CID 170714712
2-[3-(3,4-dimethylphenyl)-6-oxopyridazin-1-yl]-N-[(3-methoxyphenyl)methyl]acetamide
CID 7666380
tert-butyl N-[[3-(3-methyl-2-oxo-1,4-dihydropyrido[2,3-d]pyrimidin-5-yl)phenyl]methyl]carbamate
CID 169003461
lithium 3-[[3-[5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-3-pyridinyl]-6-oxopyridazin-1-yl]methyl]benzoate
CID 122447248
tert-butyl N-[[3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)phenyl]methyl]carbamate
CID 164563751
tert-butyl N-[[3-(3-carbamoylphenyl)phenyl]methyl]carbamate
CID 141438103

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-(2-bromoethoxy)-7-methoxyquinoline;6-bromo-4-chloro-7-methoxyquinoline;2-(6-bromo-7-methoxyquinolin-4-yl)oxyethanol;tert-butyl N-[[3-[1-[2-(6-bromo-7-methoxyquinolin-4-yl)oxyethyl]-6-oxopyridazin-3-yl]phenyl]methyl]carbamate;tert-butyl N-[[3-(6-chloropyridazin-3-yl)phenyl]methyl]carbamate;tert-butyl N-[[3-(6-oxo-1H-pyridazin-3-yl)phenyl]methyl]carbamate;3,6-dichloropyridazine?
The IUPAC name of 6-bromo-4-(2-bromoethoxy)-7-methoxyquinoline;6-bromo-4-chloro-7-methoxyquinoline;2-(6-bromo-7-methoxyquinolin-4-yl)oxyethanol;tert-butyl N-[[3-[1-[2-(6-bromo-7-methoxyquinolin-4-yl)oxyethyl]-6-oxopyridazin-3-yl]phenyl]methyl]carbamate;tert-butyl N-[[3-(6-chloropyridazin-3-yl)phenyl]methyl]carbamate;tert-butyl N-[[3-(6-oxo-1H-pyridazin-3-yl)phenyl]methyl]carbamate;3,6-dichloropyridazine (CID 159185263) is 6-bromo-4-(2-bromoethoxy)-7-methoxyquinoline;6-bromo-4-chloro-7-methoxyquinoline;2-(6-bromo-7-methoxyquinolin-4-yl)oxyethanol;tert-butyl N-[[3-[1-[2-(6-bromo-7-methoxyquinolin-4-yl)oxyethyl]-6-oxopyridazin-3-yl]phenyl]methyl]carbamate;tert-butyl N-[[3-(6-chloropyridazin-3-yl)phenyl]methyl]carbamate;tert-butyl N-[[3-(6-oxo-1H-pyridazin-3-yl)phenyl]methyl]carbamate;3,6-dichloropyridazine.
What is the SMILES notation for 6-bromo-4-(2-bromoethoxy)-7-methoxyquinoline;6-bromo-4-chloro-7-methoxyquinoline;2-(6-bromo-7-methoxyquinolin-4-yl)oxyethanol;tert-butyl N-[[3-[1-[2-(6-bromo-7-methoxyquinolin-4-yl)oxyethyl]-6-oxopyridazin-3-yl]phenyl]methyl]carbamate;tert-butyl N-[[3-(6-chloropyridazin-3-yl)phenyl]methyl]carbamate;tert-butyl N-[[3-(6-oxo-1H-pyridazin-3-yl)phenyl]methyl]carbamate;3,6-dichloropyridazine?
The canonical SMILES for 6-bromo-4-(2-bromoethoxy)-7-methoxyquinoline;6-bromo-4-chloro-7-methoxyquinoline;2-(6-bromo-7-methoxyquinolin-4-yl)oxyethanol;tert-butyl N-[[3-[1-[2-(6-bromo-7-methoxyquinolin-4-yl)oxyethyl]-6-oxopyridazin-3-yl]phenyl]methyl]carbamate;tert-butyl N-[[3-(6-chloropyridazin-3-yl)phenyl]methyl]carbamate;tert-butyl N-[[3-(6-oxo-1H-pyridazin-3-yl)phenyl]methyl]carbamate;3,6-dichloropyridazine is CC(C)(C)OC(=O)NCc1cccc(-c2ccc(=O)[nH]n2)c1.CC(C)(C)OC(=O)NCc1cccc(-c2ccc(Cl)nn2)c1.COc1cc2nccc(Cl)c2cc1Br.COc1cc2nccc(OCCBr)c2cc1Br.COc1cc2nccc(OCCO)c2cc1Br.COc1cc2nccc(OCCn3nc(-c4cccc(CNC(=O)OC(C)(C)C)c4)ccc3=O)c2cc1Br.Clc1ccc(Cl)nn1.
What is the InChIKey of 6-bromo-4-(2-bromoethoxy)-7-methoxyquinoline;6-bromo-4-chloro-7-methoxyquinoline;2-(6-bromo-7-methoxyquinolin-4-yl)oxyethanol;tert-butyl N-[[3-[1-[2-(6-bromo-7-methoxyquinolin-4-yl)oxyethyl]-6-oxopyridazin-3-yl]phenyl]methyl]carbamate;tert-butyl N-[[3-(6-chloropyridazin-3-yl)phenyl]methyl]carbamate;tert-butyl N-[[3-(6-oxo-1H-pyridazin-3-yl)phenyl]methyl]carbamate;3,6-dichloropyridazine?
The InChIKey is KNKGTKDALLUKLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29BrN4O5.C16H18ClN3O2.C16H19N3O3.C12H11Br2NO2.C12H12BrNO3.C10H7BrClNO.C4H2Cl2N2/c1-28(2,3)38-27(35)31-17-18-6-5-7-19(14-18)22-8-9-26(34)33(32-22)12-13-37-24-10-11-30-23-16-25(36-4)21(29)15-20(23)24;1-16(2,3)22-15(21)18-10-11-5-4-6-12(9-11)13-7-8-14(17)20-19-13;1-16(2,3)22-15(21)17-10-11-5-4-6-12(9-11)13-7-8-14(20)19-18-13;1-16-12-7-10-8(6-9(12)14)11(2-4-15-10)17-5-3-13;1-16-12-7-10-8(6-9(12)13)11(2-3-14-10)17-5-4-15;1-14-10-5-9-6(4-7(10)11)8(12)2-3-13-9;5-3-1-2-4(6)8-7-3/h5-11,14-16H,12-13,17H2,1-4H3,(H,31,35);4-9H,10H2,1-3H3,(H,18,21);4-9H,10H2,1-3H3,(H,17,21)(H,19,20);2,4,6-7H,3,5H2,1H3;2-3,6-7,15H,4-5H2,1H3;2-5H,1H3;1-2H.
What are the key properties of 6-bromo-4-(2-bromoethoxy)-7-methoxyquinoline;6-bromo-4-chloro-7-methoxyquinoline;2-(6-bromo-7-methoxyquinolin-4-yl)oxyethanol;tert-butyl N-[[3-[1-[2-(6-bromo-7-methoxyquinolin-4-yl)oxyethyl]-6-oxopyridazin-3-yl]phenyl]methyl]carbamate;tert-butyl N-[[3-(6-chloropyridazin-3-yl)phenyl]methyl]carbamate;tert-butyl N-[[3-(6-oxo-1H-pyridazin-3-yl)phenyl]methyl]carbamate;3,6-dichloropyridazine?
6-bromo-4-(2-bromoethoxy)-7-methoxyquinoline;6-bromo-4-chloro-7-methoxyquinoline;2-(6-bromo-7-methoxyquinolin-4-yl)oxyethanol;tert-butyl N-[[3-[1-[2-(6-bromo-7-methoxyquinolin-4-yl)oxyethyl]-6-oxopyridazin-3-yl]phenyl]methyl]carbamate;tert-butyl N-[[3-(6-chloropyridazin-3-yl)phenyl]methyl]carbamate;tert-butyl N-[[3-(6-oxo-1H-pyridazin-3-yl)phenyl]methyl]carbamate;3,6-dichloropyridazine has a molecular weight of 2283.28 g/mol, XLogP of 23.22, 23 rotatable bonds, 5 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-(2-bromoethoxy)-7-methoxyquinoline;6-bromo-4-chloro-7-methoxyquinoline;2-(6-bromo-7-methoxyquinolin-4-yl)oxyethanol;tert-butyl N-[[3-[1-[2-(6-bromo-7-methoxyquinolin-4-yl)oxyethyl]-6-oxopyridazin-3-yl]phenyl]methyl]carbamate;tert-butyl N-[[3-(6-chloropyridazin-3-yl)phenyl]methyl]carbamate;tert-butyl N-[[3-(6-oxo-1H-pyridazin-3-yl)phenyl]methyl]carbamate;3,6-dichloropyridazine is sourced from PubChem (CID 159185263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).