2-(chloromethyl)-6-methoxyquinoline;2-(chloromethyl)-4-methylquinoline;2-(chloromethyl)-6-methylquinoline;2-(chloromethyl)-8-methylquinoline;2-(chloromethyl)-6-nitroquinoline;quinoline

C63H54Cl5N7O3 — CID 159593430

IUPAC2-(chloromethyl)-6-methoxyquinoline;2-(chloromethyl)-4-methylquinoline;2-(chloromethyl)-6-methylquinoline;2-(chloromethyl)-8-methylquinoline;2-(chloromethyl)-6-nitroquinoline;quinoline
SMILESCOc1ccc2nc(CCl)ccc2c1.Cc1cc(CCl)nc2ccccc12.Cc1ccc2nc(CCl)ccc2c1.Cc1cccc2ccc(CCl)nc12.O=[N+]([O-])c1ccc2nc(CCl)ccc2c1.c1ccc2ncccc2c1
InChIInChI=1S/C11H10ClNO.3C11H10ClN.C10H7ClN2O2.C9H7N/c1-14-10-4-5-11-8(6-10)2-3-9(7-12)13-11;1-8-2-5-11-9(6-8)3-4-10(7-12)13-11;1-8-3-2-4-9-5-6-10(7-12)13-11(8)9;1-8-6-9(7-12)13-11-5-3-2-4-10(8)11;11-6-8-2-1-7-5-9(13(14)15)3-4-10(7)12-8;1-2-6-9-8(4-1)5-3-7-10-9/h2-6H,7H2,1H3;3*2-6H,7H2,1H3;1-5H,6H2;1-7H
InChIKeyMKNIYENTTYTVAF-UHFFFAOYSA-N
MW1134.44 g/mol
LogP17.94
Rot. Bonds7

About 2-(chloromethyl)-6-methoxyquinoline;2-(chloromethyl)-4-methylquinoline;2-(chloromethyl)-6-methylquinoline;2-(chloromethyl)-8-methylquinoline;2-(chloromethyl)-6-nitroquinoline;quinoline

2-(chloromethyl)-6-methoxyquinoline;2-(chloromethyl)-4-methylquinoline;2-(chloromethyl)-6-methylquinoline;2-(chloromethyl)-8-methylquinoline;2-(chloromethyl)-6-nitroquinoline;quinoline (PubChem CID 159593430) has the molecular formula C63H54Cl5N7O3 and a molecular weight of 1134.44 g/mol. Its IUPAC name is 2-(chloromethyl)-6-methoxyquinoline;2-(chloromethyl)-4-methylquinoline;2-(chloromethyl)-6-methylquinoline;2-(chloromethyl)-8-methylquinoline;2-(chloromethyl)-6-nitroquinoline;quinoline.

Molecular Properties

Compound Name2-(chloromethyl)-6-methoxyquinoline;2-(chloromethyl)-4-methylquinoline;2-(chloromethyl)-6-methylquinoline;2-(chloromethyl)-8-methylquinoline;2-(chloromethyl)-6-nitroquinoline;quinoline
PubChem CID159593430
Molecular FormulaC63H54Cl5N7O3
Molecular Weight1134.44 g/mol
Exact Mass1131.27
IUPAC Name2-(chloromethyl)-6-methoxyquinoline;2-(chloromethyl)-4-methylquinoline;2-(chloromethyl)-6-methylquinoline;2-(chloromethyl)-8-methylquinoline;2-(chloromethyl)-6-nitroquinoline;quinoline
SMILESCOc1ccc2nc(CCl)ccc2c1.Cc1cc(CCl)nc2ccccc12.Cc1ccc2nc(CCl)ccc2c1.Cc1cccc2ccc(CCl)nc12.O=[N+]([O-])c1ccc2nc(CCl)ccc2c1.c1ccc2ncccc2c1
InChIInChI=1S/C11H10ClNO.3C11H10ClN.C10H7ClN2O2.C9H7N/c1-14-10-4-5-11-8(6-10)2-3-9(7-12)13-11;1-8-2-5-11-9(6-8)3-4-10(7-12)13-11;1-8-3-2-4-9-5-6-10(7-12)13-11(8)9;1-8-6-9(7-12)13-11-5-3-2-4-10(8)11;11-6-8-2-1-7-5-9(13(14)15)3-4-10(7)12-8;1-2-6-9-8(4-1)5-3-7-10-9/h2-6H,7H2,1H3;3*2-6H,7H2,1H3;1-5H,6H2;1-7H
InChIKeyMKNIYENTTYTVAF-UHFFFAOYSA-N
XLogP17.94
TPSA129.71 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001134.44
LogP ≤ 517.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-(chloromethyl)-6-methoxyquinoline;2-(chloromethyl)-4-methylquinoline;2-(chloromethyl)-6-methylquinoline;2-(chloromethyl)-8-methylquinoline;2-(chloromethyl)-6-nitroquinoline;quinoline with MolForge

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Related Compounds

N,N,N',N'-tetrakis(9-chloro-7-methoxyacridin-2-yl)heptane-1,7-diamine
CID 49863467
N,N,N',N'-tetrakis(9-chloro-7-methoxyacridin-2-yl)pentane-1,5-diamine
CID 49863469
N,N,N',N'-tetrakis(9-chloro-7-methoxyacridin-2-yl)hexane-1,6-diamine
CID 49863702
8-Chloro-6-methylquinoline;2,4-dimethylquinoline;6,8-dimethylquinoline;8-methoxy-6-methylquinoline;1-methyl-4-nitrobenzene;2-methylpyridine;3-methylpyridine;4-methylpyridine;5-methylquinoline;6-methylquinoline;6-methyl-8-(trifluoromethyl)quinoline;1,4-xylene
CID 159020483
4-[(1R,2R)-1,2-bis[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-2-(6-methoxyquinolin-4-yl)ethyl]-6-methoxyquinoline
CID 25099023
Disilver;tetrakis(6-methoxyquinoline);dinitrate
CID 139178537
2-(Chloromethyl)-6-methoxyquinoline;2-(chloromethyl)-6-nitroquinoline
CID 70388920
2-[4-[2-[3-[2-[4-[4-[4-[5-[2-[3,5-Bis[2-(4-methyl-6-phenyl-3-pyridinyl)ethyl]phenyl]phenyl]-4-methoxy-2-pyridinyl]phenyl]-2-pyridinyl]phenyl]ethyl]-5-[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]phenyl]-3-methoxyphenyl]-6-[2-[4-[2-[3-[2-[2-methoxy-4-(4-phenylquinolin-2-yl)phenyl]phenyl]-5-[2-[4-(5-methyl-2-pyridinyl)phenyl]ethyl]phenyl]ethyl]phenyl]-5-methyl-4-pyridinyl]quinoline
CID 139429372
2-(Chloromethyl)-6-methoxyquinoline;2-(chloromethyl)-4-methylquinoline;2-(chloromethyl)-6-methylquinoline;2-(chloromethyl)-8-methylquinoline;2-(chloromethyl)-6-nitroquinoline
CID 158194445
N-(2,4-dimethylphenyl)-1-[6-[N-(4-methoxy-2-methylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;N-(2,4-dimethylphenyl)-1-[6-[N-(4-methoxy-2-methylphenyl)-C-phenylcarbonimidoyl]-2-pyridinyl]-1-phenylmethanimine;1-[6-[C-methyl-N-(2-methyl-4-nitrophenyl)carbonimidoyl]-2-pyridinyl]-N-(2-methyl-4-nitrophenyl)ethanimine;N-(2-methyl-4-nitrophenyl)-1-[6-[N-(2-methyl-4-nitrophenyl)-C-phenylcarbonimidoyl]-2-pyridinyl]-1-phenylmethanimine
CID 158213071
3-[4-(3,5-Ditert-butylphenyl)-6-(3-methoxyphenyl)-2-pyridinyl]isoquinoline;3-[4-(3,5-ditert-butylphenyl)-6-(3-nitrophenyl)-2-pyridinyl]isoquinoline;3-[4-(3,5-ditert-butylphenyl)-6-phenyl-2-pyridinyl]isoquinoline;3-[6-(2,4-difluorophenyl)-2-pyridinyl]isoquinoline;3-[6-(3,4-difluorophenyl)-2-pyridinyl]isoquinoline;3-(6-phenyl-2-pyridinyl)isoquinoline
CID 158292534
2-(Chloromethyl)-6,8-dimethylquinoline;2-(chloromethyl)-6-methoxyquinoline;2-(chloromethyl)-6-nitroquinoline
CID 159933365

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-6-methoxyquinoline;2-(chloromethyl)-4-methylquinoline;2-(chloromethyl)-6-methylquinoline;2-(chloromethyl)-8-methylquinoline;2-(chloromethyl)-6-nitroquinoline;quinoline?
The IUPAC name of 2-(chloromethyl)-6-methoxyquinoline;2-(chloromethyl)-4-methylquinoline;2-(chloromethyl)-6-methylquinoline;2-(chloromethyl)-8-methylquinoline;2-(chloromethyl)-6-nitroquinoline;quinoline (CID 159593430) is 2-(chloromethyl)-6-methoxyquinoline;2-(chloromethyl)-4-methylquinoline;2-(chloromethyl)-6-methylquinoline;2-(chloromethyl)-8-methylquinoline;2-(chloromethyl)-6-nitroquinoline;quinoline.
What is the SMILES notation for 2-(chloromethyl)-6-methoxyquinoline;2-(chloromethyl)-4-methylquinoline;2-(chloromethyl)-6-methylquinoline;2-(chloromethyl)-8-methylquinoline;2-(chloromethyl)-6-nitroquinoline;quinoline?
The canonical SMILES for 2-(chloromethyl)-6-methoxyquinoline;2-(chloromethyl)-4-methylquinoline;2-(chloromethyl)-6-methylquinoline;2-(chloromethyl)-8-methylquinoline;2-(chloromethyl)-6-nitroquinoline;quinoline is COc1ccc2nc(CCl)ccc2c1.Cc1cc(CCl)nc2ccccc12.Cc1ccc2nc(CCl)ccc2c1.Cc1cccc2ccc(CCl)nc12.O=[N+]([O-])c1ccc2nc(CCl)ccc2c1.c1ccc2ncccc2c1.
What is the InChIKey of 2-(chloromethyl)-6-methoxyquinoline;2-(chloromethyl)-4-methylquinoline;2-(chloromethyl)-6-methylquinoline;2-(chloromethyl)-8-methylquinoline;2-(chloromethyl)-6-nitroquinoline;quinoline?
The InChIKey is MKNIYENTTYTVAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNO.3C11H10ClN.C10H7ClN2O2.C9H7N/c1-14-10-4-5-11-8(6-10)2-3-9(7-12)13-11;1-8-2-5-11-9(6-8)3-4-10(7-12)13-11;1-8-3-2-4-9-5-6-10(7-12)13-11(8)9;1-8-6-9(7-12)13-11-5-3-2-4-10(8)11;11-6-8-2-1-7-5-9(13(14)15)3-4-10(7)12-8;1-2-6-9-8(4-1)5-3-7-10-9/h2-6H,7H2,1H3;3*2-6H,7H2,1H3;1-5H,6H2;1-7H.
What are the key properties of 2-(chloromethyl)-6-methoxyquinoline;2-(chloromethyl)-4-methylquinoline;2-(chloromethyl)-6-methylquinoline;2-(chloromethyl)-8-methylquinoline;2-(chloromethyl)-6-nitroquinoline;quinoline?
2-(chloromethyl)-6-methoxyquinoline;2-(chloromethyl)-4-methylquinoline;2-(chloromethyl)-6-methylquinoline;2-(chloromethyl)-8-methylquinoline;2-(chloromethyl)-6-nitroquinoline;quinoline has a molecular weight of 1134.44 g/mol, XLogP of 17.94, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-6-methoxyquinoline;2-(chloromethyl)-4-methylquinoline;2-(chloromethyl)-6-methylquinoline;2-(chloromethyl)-8-methylquinoline;2-(chloromethyl)-6-nitroquinoline;quinoline is sourced from PubChem (CID 159593430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).