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

C59H70ClF3N6O6 — CID 157106217

IUPAC7-chloro-4-methoxyquinoline;4,7-dimethoxyquinoline;methane;4-methoxy-7-methylquinolin-2-amine;4-methoxy-2-methyl-8-(trifluoromethyl)quinoline;4-methoxyquinoline
SMILESC.C.C.C.C.COc1cc(C)nc2c(C(F)(F)F)cccc12.COc1cc(N)nc2cc(C)ccc12.COc1ccc2c(OC)ccnc2c1.COc1ccnc2cc(Cl)ccc12.COc1ccnc2ccccc12
InChIInChI=1S/C12H10F3NO.C11H12N2O.C11H11NO2.C10H8ClNO.C10H9NO.5CH4/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;1-13-8-3-4-9-10(7-8)12-6-5-11(9)14-2;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;5*1H4
InChIKeyMALZHSNHCYNSFP-UHFFFAOYSA-N
MW1051.69 g/mol
LogP16.28
Rot. Bonds6

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

7-chloro-4-methoxyquinoline;4,7-dimethoxyquinoline;methane;4-methoxy-7-methylquinolin-2-amine;4-methoxy-2-methyl-8-(trifluoromethyl)quinoline;4-methoxyquinoline (PubChem CID 157106217) has the molecular formula C59H70ClF3N6O6 and a molecular weight of 1051.69 g/mol. Its IUPAC name is 7-chloro-4-methoxyquinoline;4,7-dimethoxyquinoline;methane;4-methoxy-7-methylquinolin-2-amine;4-methoxy-2-methyl-8-(trifluoromethyl)quinoline;4-methoxyquinoline.

Molecular Properties

Compound Name7-chloro-4-methoxyquinoline;4,7-dimethoxyquinoline;methane;4-methoxy-7-methylquinolin-2-amine;4-methoxy-2-methyl-8-(trifluoromethyl)quinoline;4-methoxyquinoline
PubChem CID157106217
Molecular FormulaC59H70ClF3N6O6
Molecular Weight1051.69 g/mol
Exact Mass1050.50
IUPAC Name7-chloro-4-methoxyquinoline;4,7-dimethoxyquinoline;methane;4-methoxy-7-methylquinolin-2-amine;4-methoxy-2-methyl-8-(trifluoromethyl)quinoline;4-methoxyquinoline
SMILESC.C.C.C.C.COc1cc(C)nc2c(C(F)(F)F)cccc12.COc1cc(N)nc2cc(C)ccc12.COc1ccc2c(OC)ccnc2c1.COc1ccnc2cc(Cl)ccc12.COc1ccnc2ccccc12
InChIInChI=1S/C12H10F3NO.C11H12N2O.C11H11NO2.C10H8ClNO.C10H9NO.5CH4/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;1-13-8-3-4-9-10(7-8)12-6-5-11(9)14-2;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;5*1H4
InChIKeyMALZHSNHCYNSFP-UHFFFAOYSA-N
XLogP16.28
TPSA145.85 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds6
Heavy Atoms75
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001051.69
LogP ≤ 516.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

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

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Related Compounds

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-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
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
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
5-[(4-Chlorophenyl)methoxy]quinazoline-2,4-diamine;5-(4-fluorophenoxy)quinazoline-2,4-diamine;5-(4-methylphenoxy)quinazoline-2,4-diamine;5-[(4-methylphenyl)methoxy]quinazoline-2,4-diamine;5-phenoxyquinazoline-2,4-diamine;5-pyrrol-1-ylquinazoline-2,4-diamine;5-[[4-(trifluoromethyl)phenyl]methoxy]quinazoline-2,4-diamine
CID 158862461
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 159357608
Tert-butylbenzene;4-tert-butyl-2,8-bis(trifluoromethyl)quinoline;2-tert-butyl-5-chloropyridine;4-tert-butyl-7-chloroquinoline;4-tert-butyl-2-imidazol-1-ylquinazoline;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 159614604
7-Chloro-4-methoxyquinolin-1-ium;4,7-dimethoxyquinolin-1-ium;4-methoxy-7-methylquinolin-1-ium-2-amine;4-methoxy-2-methyl-8-(trifluoromethyl)quinolin-1-ium;4-methoxyquinolin-1-ium
CID 160284123
4-(4-chlorophenyl)-6-(cyclopentylmethyl)pyrimidin-2-amine;6-(4-chlorophenyl)-4-N-prop-2-enylpyrimidine-2,4-diamine;4-(cyclopentylmethyl)-6-(4-methoxyphenyl)pyrimidin-2-amine;4-(cyclopentylmethyl)-6-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine;4-ethyl-6-quinolin-5-ylpyrimidin-2-amine;6-(4-methoxyphenyl)-4-N-prop-2-enylpyrimidine-2,4-diamine
CID 160389242
7-Chloro-4-methoxyquinolin-1-ium;4,7-dimethoxyquinolin-1-ium;4,7-dimethoxyquinolin-1-ium-2-amine;4-methoxy-2-methyl-8-(trifluoromethyl)quinolin-1-ium;4-methoxyquinolin-1-ium
CID 160734284

Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-methoxyquinoline;4,7-dimethoxyquinoline;methane;4-methoxy-7-methylquinolin-2-amine;4-methoxy-2-methyl-8-(trifluoromethyl)quinoline;4-methoxyquinoline?
The IUPAC name of 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) is 7-chloro-4-methoxyquinoline;4,7-dimethoxyquinoline;methane;4-methoxy-7-methylquinolin-2-amine;4-methoxy-2-methyl-8-(trifluoromethyl)quinoline;4-methoxyquinoline.
What is the SMILES notation for 7-chloro-4-methoxyquinoline;4,7-dimethoxyquinoline;methane;4-methoxy-7-methylquinolin-2-amine;4-methoxy-2-methyl-8-(trifluoromethyl)quinoline;4-methoxyquinoline?
The canonical SMILES for 7-chloro-4-methoxyquinoline;4,7-dimethoxyquinoline;methane;4-methoxy-7-methylquinolin-2-amine;4-methoxy-2-methyl-8-(trifluoromethyl)quinoline;4-methoxyquinoline is C.C.C.C.C.COc1cc(C)nc2c(C(F)(F)F)cccc12.COc1cc(N)nc2cc(C)ccc12.COc1ccc2c(OC)ccnc2c1.COc1ccnc2cc(Cl)ccc12.COc1ccnc2ccccc12.
What is the InChIKey of 7-chloro-4-methoxyquinoline;4,7-dimethoxyquinoline;methane;4-methoxy-7-methylquinolin-2-amine;4-methoxy-2-methyl-8-(trifluoromethyl)quinoline;4-methoxyquinoline?
The InChIKey is MALZHSNHCYNSFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3NO.C11H12N2O.C11H11NO2.C10H8ClNO.C10H9NO.5CH4/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;1-13-8-3-4-9-10(7-8)12-6-5-11(9)14-2;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;5*1H4.
What are the key properties of 7-chloro-4-methoxyquinoline;4,7-dimethoxyquinoline;methane;4-methoxy-7-methylquinolin-2-amine;4-methoxy-2-methyl-8-(trifluoromethyl)quinoline;4-methoxyquinoline?
7-chloro-4-methoxyquinoline;4,7-dimethoxyquinoline;methane;4-methoxy-7-methylquinolin-2-amine;4-methoxy-2-methyl-8-(trifluoromethyl)quinoline;4-methoxyquinoline has a molecular weight of 1051.69 g/mol, XLogP of 16.28, 6 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-methoxyquinoline;4,7-dimethoxyquinoline;methane;4-methoxy-7-methylquinolin-2-amine;4-methoxy-2-methyl-8-(trifluoromethyl)quinoline;4-methoxyquinoline is sourced from PubChem (CID 157106217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).