2,4-dichloro-6-fluoro-7-methoxyquinoline;4,6-difluoro-2,7-dimethoxyquinoline;4-fluoro-3-methoxyaniline;2,4,6-trifluoro-7-methoxyquinoline

C38H29Cl2F7N4O5 — CID 157087230

IUPAC2,4-dichloro-6-fluoro-7-methoxyquinoline;4,6-difluoro-2,7-dimethoxyquinoline;4-fluoro-3-methoxyaniline;2,4,6-trifluoro-7-methoxyquinoline
SMILESCOc1cc(F)c2cc(F)c(OC)cc2n1.COc1cc(N)ccc1F.COc1cc2nc(Cl)cc(Cl)c2cc1F.COc1cc2nc(F)cc(F)c2cc1F
InChIInChI=1S/C11H9F2NO2.C10H6Cl2FNO.C10H6F3NO.C7H8FNO/c1-15-10-5-9-6(3-8(10)13)7(12)4-11(14-9)16-2;1-15-9-4-8-5(2-7(9)13)6(11)3-10(12)14-8;1-15-9-4-8-5(2-7(9)12)6(11)3-10(13)14-8;1-10-7-4-5(9)2-3-6(7)8/h3-5H,1-2H3;2*2-4H,1H3;2-4H,9H2,1H3
InChIKeyAEFRJZMUAMNCQI-UHFFFAOYSA-N
MW825.56 g/mol
LogP10.30
Rot. Bonds5

About 2,4-dichloro-6-fluoro-7-methoxyquinoline;4,6-difluoro-2,7-dimethoxyquinoline;4-fluoro-3-methoxyaniline;2,4,6-trifluoro-7-methoxyquinoline

2,4-dichloro-6-fluoro-7-methoxyquinoline;4,6-difluoro-2,7-dimethoxyquinoline;4-fluoro-3-methoxyaniline;2,4,6-trifluoro-7-methoxyquinoline (PubChem CID 157087230) has the molecular formula C38H29Cl2F7N4O5 and a molecular weight of 825.56 g/mol. Its IUPAC name is 2,4-dichloro-6-fluoro-7-methoxyquinoline;4,6-difluoro-2,7-dimethoxyquinoline;4-fluoro-3-methoxyaniline;2,4,6-trifluoro-7-methoxyquinoline.

Molecular Properties

Compound Name2,4-dichloro-6-fluoro-7-methoxyquinoline;4,6-difluoro-2,7-dimethoxyquinoline;4-fluoro-3-methoxyaniline;2,4,6-trifluoro-7-methoxyquinoline
PubChem CID157087230
Molecular FormulaC38H29Cl2F7N4O5
Molecular Weight825.56 g/mol
Exact Mass824.14
IUPAC Name2,4-dichloro-6-fluoro-7-methoxyquinoline;4,6-difluoro-2,7-dimethoxyquinoline;4-fluoro-3-methoxyaniline;2,4,6-trifluoro-7-methoxyquinoline
SMILESCOc1cc(F)c2cc(F)c(OC)cc2n1.COc1cc(N)ccc1F.COc1cc2nc(Cl)cc(Cl)c2cc1F.COc1cc2nc(F)cc(F)c2cc1F
InChIInChI=1S/C11H9F2NO2.C10H6Cl2FNO.C10H6F3NO.C7H8FNO/c1-15-10-5-9-6(3-8(10)13)7(12)4-11(14-9)16-2;1-15-9-4-8-5(2-7(9)13)6(11)3-10(12)14-8;1-15-9-4-8-5(2-7(9)12)6(11)3-10(13)14-8;1-10-7-4-5(9)2-3-6(7)8/h3-5H,1-2H3;2*2-4H,1H3;2-4H,9H2,1H3
InChIKeyAEFRJZMUAMNCQI-UHFFFAOYSA-N
XLogP10.30
TPSA110.84 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500825.56
LogP ≤ 510.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2,4-dichloro-6-fluoro-7-methoxyquinoline;4,6-difluoro-2,7-dimethoxyquinoline;4-fluoro-3-methoxyaniline;2,4,6-trifluoro-7-methoxyquinoline with MolForge

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Related Compounds

N,N'-bis(3-methoxyacridin-9-yl)hexane-1,6-diamine
CID 319095
1,8-Octanediamine, N,N'-bis(2-chloro-6-methoxy-9-acridinyl)-
CID 100225
1,8-Octanediamine, N,N'-bis(3-methoxy-9-acridinyl)-
CID 99670
N,N'-bis(3-methoxyacridin-9-yl)decane-1,10-diamine;hydrochloride
CID 54607389
(3-Chloro-4-fluorophenyl)[2-(4-methoxyphenyl)(4-quinolyl)]amine
CID 141703726
N~1~,N~8~-Bis(3-chloro-6-methoxyacridin-9-yl)octane-1,8-diamine--hydrogen chloride (1/1)
CID 54598616
N,N'-bis(3-methoxyacridin-9-yl)butane-1,4-diamine;hydrochloride
CID 54598620
N,N'-bis(3-methoxyacridin-9-yl)ethane-1,2-diamine;hydrochloride
CID 54601947
(3E,5E)-3,5-bis[(2-chloro-7-methoxyquinolin-3-yl)methylidene]piperidin-4-one
CID 137637747
(3E,5E)-3,5-bis[(2-chloro-7-methoxyquinolin-3-yl)methylidene]-1-methylpiperidin-4-one
CID 137640430
N-(3,4-dichlorophenyl)-7-methoxy-2-(trifluoromethyl)quinolin-4-amine
CID 168285846
4-Chloro-3-(4-fluorophenyl)-2-(4-methoxyphenyl)quinoline
CID 139213833

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-fluoro-7-methoxyquinoline;4,6-difluoro-2,7-dimethoxyquinoline;4-fluoro-3-methoxyaniline;2,4,6-trifluoro-7-methoxyquinoline?
The IUPAC name of 2,4-dichloro-6-fluoro-7-methoxyquinoline;4,6-difluoro-2,7-dimethoxyquinoline;4-fluoro-3-methoxyaniline;2,4,6-trifluoro-7-methoxyquinoline (CID 157087230) is 2,4-dichloro-6-fluoro-7-methoxyquinoline;4,6-difluoro-2,7-dimethoxyquinoline;4-fluoro-3-methoxyaniline;2,4,6-trifluoro-7-methoxyquinoline.
What is the SMILES notation for 2,4-dichloro-6-fluoro-7-methoxyquinoline;4,6-difluoro-2,7-dimethoxyquinoline;4-fluoro-3-methoxyaniline;2,4,6-trifluoro-7-methoxyquinoline?
The canonical SMILES for 2,4-dichloro-6-fluoro-7-methoxyquinoline;4,6-difluoro-2,7-dimethoxyquinoline;4-fluoro-3-methoxyaniline;2,4,6-trifluoro-7-methoxyquinoline is COc1cc(F)c2cc(F)c(OC)cc2n1.COc1cc(N)ccc1F.COc1cc2nc(Cl)cc(Cl)c2cc1F.COc1cc2nc(F)cc(F)c2cc1F.
What is the InChIKey of 2,4-dichloro-6-fluoro-7-methoxyquinoline;4,6-difluoro-2,7-dimethoxyquinoline;4-fluoro-3-methoxyaniline;2,4,6-trifluoro-7-methoxyquinoline?
The InChIKey is AEFRJZMUAMNCQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F2NO2.C10H6Cl2FNO.C10H6F3NO.C7H8FNO/c1-15-10-5-9-6(3-8(10)13)7(12)4-11(14-9)16-2;1-15-9-4-8-5(2-7(9)13)6(11)3-10(12)14-8;1-15-9-4-8-5(2-7(9)12)6(11)3-10(13)14-8;1-10-7-4-5(9)2-3-6(7)8/h3-5H,1-2H3;2*2-4H,1H3;2-4H,9H2,1H3.
What are the key properties of 2,4-dichloro-6-fluoro-7-methoxyquinoline;4,6-difluoro-2,7-dimethoxyquinoline;4-fluoro-3-methoxyaniline;2,4,6-trifluoro-7-methoxyquinoline?
2,4-dichloro-6-fluoro-7-methoxyquinoline;4,6-difluoro-2,7-dimethoxyquinoline;4-fluoro-3-methoxyaniline;2,4,6-trifluoro-7-methoxyquinoline has a molecular weight of 825.56 g/mol, XLogP of 10.30, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-fluoro-7-methoxyquinoline;4,6-difluoro-2,7-dimethoxyquinoline;4-fluoro-3-methoxyaniline;2,4,6-trifluoro-7-methoxyquinoline is sourced from PubChem (CID 157087230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).