7-chloro-4-methoxyquinoline;methane;4-methoxy-7-methylquinolin-2-amine;4-methoxy-7-methylquinoline;4-methoxy-2-methyl-8-(trifluoromethyl)quinoline;4-methoxyquinoline

C60H74ClF3N6O5 — CID 157455688

IUPAC7-chloro-4-methoxyquinoline;methane;4-methoxy-7-methylquinolin-2-amine;4-methoxy-7-methylquinoline;4-methoxy-2-methyl-8-(trifluoromethyl)quinoline;4-methoxyquinoline
SMILESC.C.C.C.C.C.COc1cc(C)nc2c(C(F)(F)F)cccc12.COc1cc(N)nc2cc(C)ccc12.COc1ccnc2cc(C)ccc12.COc1ccnc2cc(Cl)ccc12.COc1ccnc2ccccc12
InChIInChI=1S/C12H10F3NO.C11H12N2O.C11H11NO.C10H8ClNO.C10H9NO.6CH4/c1-7-6-10(17-2)8-4-3-5-9(11(8)16-7)12(13,14)15;1-7-3-4-8-9(5-7)13-11(12)6-10(8)14-2;1-8-3-4-9-10(7-8)12-6-5-11(9)13-2;1-13-10-4-5-12-9-6-7(11)2-3-8(9)10;1-12-10-6-7-11-9-5-3-2-4-8(9)10;;;;;;/h3-6H,1-2H3;3-6H,1-2H3,(H2,12,13);3-7H,1-2H3;2-6H,1H3;2-7H,1H3;6*1H4
InChIKeyMCANTYYBXPCQLJ-UHFFFAOYSA-N
MW1051.74 g/mol
LogP17.21
Rot. Bonds5

About 7-chloro-4-methoxyquinoline;methane;4-methoxy-7-methylquinolin-2-amine;4-methoxy-7-methylquinoline;4-methoxy-2-methyl-8-(trifluoromethyl)quinoline;4-methoxyquinoline

7-chloro-4-methoxyquinoline;methane;4-methoxy-7-methylquinolin-2-amine;4-methoxy-7-methylquinoline;4-methoxy-2-methyl-8-(trifluoromethyl)quinoline;4-methoxyquinoline (PubChem CID 157455688) has the molecular formula C60H74ClF3N6O5 and a molecular weight of 1051.74 g/mol. Its IUPAC name is 7-chloro-4-methoxyquinoline;methane;4-methoxy-7-methylquinolin-2-amine;4-methoxy-7-methylquinoline;4-methoxy-2-methyl-8-(trifluoromethyl)quinoline;4-methoxyquinoline.

Molecular Properties

Compound Name7-chloro-4-methoxyquinoline;methane;4-methoxy-7-methylquinolin-2-amine;4-methoxy-7-methylquinoline;4-methoxy-2-methyl-8-(trifluoromethyl)quinoline;4-methoxyquinoline
PubChem CID157455688
Molecular FormulaC60H74ClF3N6O5
Molecular Weight1051.74 g/mol
Exact Mass1050.54
IUPAC Name7-chloro-4-methoxyquinoline;methane;4-methoxy-7-methylquinolin-2-amine;4-methoxy-7-methylquinoline;4-methoxy-2-methyl-8-(trifluoromethyl)quinoline;4-methoxyquinoline
SMILESC.C.C.C.C.C.COc1cc(C)nc2c(C(F)(F)F)cccc12.COc1cc(N)nc2cc(C)ccc12.COc1ccnc2cc(C)ccc12.COc1ccnc2cc(Cl)ccc12.COc1ccnc2ccccc12
InChIInChI=1S/C12H10F3NO.C11H12N2O.C11H11NO.C10H8ClNO.C10H9NO.6CH4/c1-7-6-10(17-2)8-4-3-5-9(11(8)16-7)12(13,14)15;1-7-3-4-8-9(5-7)13-11(12)6-10(8)14-2;1-8-3-4-9-10(7-8)12-6-5-11(9)13-2;1-13-10-4-5-12-9-6-7(11)2-3-8(9)10;1-12-10-6-7-11-9-5-3-2-4-8(9)10;;;;;;/h3-6H,1-2H3;3-6H,1-2H3,(H2,12,13);3-7H,1-2H3;2-6H,1H3;2-7H,1H3;6*1H4
InChIKeyMCANTYYBXPCQLJ-UHFFFAOYSA-N
XLogP17.21
TPSA136.62 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds5
Heavy Atoms75
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001051.74
LogP ≤ 517.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze 7-chloro-4-methoxyquinoline;methane;4-methoxy-7-methylquinolin-2-amine;4-methoxy-7-methylquinoline;4-methoxy-2-methyl-8-(trifluoromethyl)quinoline;4-methoxyquinoline with MolForge

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Related Compounds

5-[7-Chloro-3-(3,5-dimethylphenyl)-4-{2-[(2R)-piperidin-2-yl]ethoxy}quinolin-6-yl]pyridin-2-amine
CID 52936722
7-Chloro-4-methoxyquinoline;4-methoxy-2-methyl-8-(trifluoromethyl)quinoline
CID 90986820
4-Methoxy-7-methylquinolin-1-ium;4-methoxy-7-methylquinolin-1-ium-2-amine;4-methoxy-2-methyl-8-(trifluoromethyl)quinolin-1-ium
CID 91034412
7-Chloro-4-methoxyquinolin-1-ium;4-methoxy-7-methylquinolin-1-ium-2-amine;4-methoxy-2-methyl-8-(trifluoromethyl)quinolin-1-ium
CID 91467306
7-Chloro-4-methoxyquinoline;4,7-dimethoxyquinoline;4-methoxy-2-methyl-8-(trifluoromethyl)quinoline;4-methoxyquinoline
CID 123190620
7-Chloro-4-methoxyquinoline;4,7-dimethoxyquinolin-2-amine;4,7-dimethoxyquinoline;4-methoxy-2-methyl-8-(trifluoromethyl)quinoline;4-methoxyquinoline
CID 157068514
7-Chloro-4-methoxyquinoline;4,7-dimethoxyquinoline;methane;4-methoxy-7-methylquinolin-2-amine;4-methoxy-2-methyl-8-(trifluoromethyl)quinoline;4-methoxyquinoline
CID 157106217
4-N-[7-chloro-3-(4-methylphenyl)quinolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine;7-chloro-N-(2-piperidin-2-ylethyl)-3-[4-(trifluoromethoxy)phenyl]quinolin-4-amine;N-[7-chloro-3-[4-(trifluoromethoxy)phenyl]quinolin-4-yl]-N',N'-diethylethane-1,2-diamine;N-[7-chloro-3-[4-(trifluoromethoxy)phenyl]quinolin-4-yl]-N',N'-diethylpropane-1,3-diamine
CID 157260539
7-Chloro-4-methoxyquinolin-1-ium;4,7-dimethoxyquinolin-1-ium;4,7-dimethoxyquinolin-1-ium-2-amine;methane;4-methoxy-2-methyl-8-(trifluoromethyl)quinolin-1-ium;4-methoxyquinolin-1-ium
CID 157308333
6-[2-(5-Chloro-2,4-difluorophenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(2,4-difluorophenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(2,5-difluorophenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(3,4-difluorophenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(3-methoxyphenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]quinazolin-4-amine
CID 157867768
7-chloro-3-phenylquinoline;7-chloro-N-(pyridin-2-ylmethyl)quinazolin-4-amine;N,N-dimethyl-7-(trifluoromethyl)quinolin-4-amine;6-methoxy-1-oxidoquinolin-1-ium;8-(trifluoromethyl)quinolin-4-amine
CID 158225923
Tert-butylbenzene;4-tert-butyl-2,8-bis(trifluoromethyl)quinoline;2-tert-butyl-5-chloropyridine;4-tert-butyl-7-chloroquinoline;1-tert-butylisoquinoline;4-tert-butylisoquinoline;5-tert-butylisoquinoline;4-tert-butyl-7-methoxyquinolin-2-amine;4-tert-butyl-7-methoxyquinoline;1-tert-butylnaphthalene;2-tert-butylnaphthalene;4-tert-butylquinazoline;4-tert-butylquinoline;4-tert-butyl-7-(trifluoromethyl)quinoline
CID 158231344

Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-methoxyquinoline;methane;4-methoxy-7-methylquinolin-2-amine;4-methoxy-7-methylquinoline;4-methoxy-2-methyl-8-(trifluoromethyl)quinoline;4-methoxyquinoline?
The IUPAC name of 7-chloro-4-methoxyquinoline;methane;4-methoxy-7-methylquinolin-2-amine;4-methoxy-7-methylquinoline;4-methoxy-2-methyl-8-(trifluoromethyl)quinoline;4-methoxyquinoline (CID 157455688) is 7-chloro-4-methoxyquinoline;methane;4-methoxy-7-methylquinolin-2-amine;4-methoxy-7-methylquinoline;4-methoxy-2-methyl-8-(trifluoromethyl)quinoline;4-methoxyquinoline.
What is the SMILES notation for 7-chloro-4-methoxyquinoline;methane;4-methoxy-7-methylquinolin-2-amine;4-methoxy-7-methylquinoline;4-methoxy-2-methyl-8-(trifluoromethyl)quinoline;4-methoxyquinoline?
The canonical SMILES for 7-chloro-4-methoxyquinoline;methane;4-methoxy-7-methylquinolin-2-amine;4-methoxy-7-methylquinoline;4-methoxy-2-methyl-8-(trifluoromethyl)quinoline;4-methoxyquinoline is C.C.C.C.C.C.COc1cc(C)nc2c(C(F)(F)F)cccc12.COc1cc(N)nc2cc(C)ccc12.COc1ccnc2cc(C)ccc12.COc1ccnc2cc(Cl)ccc12.COc1ccnc2ccccc12.
What is the InChIKey of 7-chloro-4-methoxyquinoline;methane;4-methoxy-7-methylquinolin-2-amine;4-methoxy-7-methylquinoline;4-methoxy-2-methyl-8-(trifluoromethyl)quinoline;4-methoxyquinoline?
The InChIKey is MCANTYYBXPCQLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3NO.C11H12N2O.C11H11NO.C10H8ClNO.C10H9NO.6CH4/c1-7-6-10(17-2)8-4-3-5-9(11(8)16-7)12(13,14)15;1-7-3-4-8-9(5-7)13-11(12)6-10(8)14-2;1-8-3-4-9-10(7-8)12-6-5-11(9)13-2;1-13-10-4-5-12-9-6-7(11)2-3-8(9)10;1-12-10-6-7-11-9-5-3-2-4-8(9)10;;;;;;/h3-6H,1-2H3;3-6H,1-2H3,(H2,12,13);3-7H,1-2H3;2-6H,1H3;2-7H,1H3;6*1H4.
What are the key properties of 7-chloro-4-methoxyquinoline;methane;4-methoxy-7-methylquinolin-2-amine;4-methoxy-7-methylquinoline;4-methoxy-2-methyl-8-(trifluoromethyl)quinoline;4-methoxyquinoline?
7-chloro-4-methoxyquinoline;methane;4-methoxy-7-methylquinolin-2-amine;4-methoxy-7-methylquinoline;4-methoxy-2-methyl-8-(trifluoromethyl)quinoline;4-methoxyquinoline has a molecular weight of 1051.74 g/mol, XLogP of 17.21, 5 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-methoxyquinoline;methane;4-methoxy-7-methylquinolin-2-amine;4-methoxy-7-methylquinoline;4-methoxy-2-methyl-8-(trifluoromethyl)quinoline;4-methoxyquinoline is sourced from PubChem (CID 157455688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).