4-chloro-5-fluoro-3-methyl-2-(4-methyl-2-pyridinyl)quinoline;4-chloro-7-fluoro-3-methyl-2-(4-methyl-2-pyridinyl)quinoline;2,4-dichloro-5-fluoro-3-methylquinoline;2,4-dichloro-7-fluoro-3-methylquinoline

C52H36Cl6F4N6 — CID 157093924

IUPAC4-chloro-5-fluoro-3-methyl-2-(4-methyl-2-pyridinyl)quinoline;4-chloro-7-fluoro-3-methyl-2-(4-methyl-2-pyridinyl)quinoline;2,4-dichloro-5-fluoro-3-methylquinoline;2,4-dichloro-7-fluoro-3-methylquinoline
SMILESCc1c(Cl)nc2cc(F)ccc2c1Cl.Cc1c(Cl)nc2cccc(F)c2c1Cl.Cc1ccnc(-c2nc3cc(F)ccc3c(Cl)c2C)c1.Cc1ccnc(-c2nc3cccc(F)c3c(Cl)c2C)c1
InChIInChI=1S/2C16H12ClFN2.2C10H6Cl2FN/c1-9-5-6-19-14(7-9)16-10(2)15(17)12-4-3-11(18)8-13(12)20-16;1-9-6-7-19-13(8-9)16-10(2)15(17)14-11(18)4-3-5-12(14)20-16;1-5-9(11)7-3-2-6(13)4-8(7)14-10(5)12;1-5-9(11)8-6(13)3-2-4-7(8)14-10(5)12/h2*3-8H,1-2H3;2*2-4H,1H3
InChIKeyAEZFBZQTTCFOML-UHFFFAOYSA-N
MW1033.61 g/mol
LogP17.39
Rot. Bonds2

About 4-chloro-5-fluoro-3-methyl-2-(4-methyl-2-pyridinyl)quinoline;4-chloro-7-fluoro-3-methyl-2-(4-methyl-2-pyridinyl)quinoline;2,4-dichloro-5-fluoro-3-methylquinoline;2,4-dichloro-7-fluoro-3-methylquinoline

4-chloro-5-fluoro-3-methyl-2-(4-methyl-2-pyridinyl)quinoline;4-chloro-7-fluoro-3-methyl-2-(4-methyl-2-pyridinyl)quinoline;2,4-dichloro-5-fluoro-3-methylquinoline;2,4-dichloro-7-fluoro-3-methylquinoline (PubChem CID 157093924) has the molecular formula C52H36Cl6F4N6 and a molecular weight of 1033.61 g/mol. Its IUPAC name is 4-chloro-5-fluoro-3-methyl-2-(4-methyl-2-pyridinyl)quinoline;4-chloro-7-fluoro-3-methyl-2-(4-methyl-2-pyridinyl)quinoline;2,4-dichloro-5-fluoro-3-methylquinoline;2,4-dichloro-7-fluoro-3-methylquinoline.

Molecular Properties

Compound Name4-chloro-5-fluoro-3-methyl-2-(4-methyl-2-pyridinyl)quinoline;4-chloro-7-fluoro-3-methyl-2-(4-methyl-2-pyridinyl)quinoline;2,4-dichloro-5-fluoro-3-methylquinoline;2,4-dichloro-7-fluoro-3-methylquinoline
PubChem CID157093924
Molecular FormulaC52H36Cl6F4N6
Molecular Weight1033.61 g/mol
Exact Mass1030.11
IUPAC Name4-chloro-5-fluoro-3-methyl-2-(4-methyl-2-pyridinyl)quinoline;4-chloro-7-fluoro-3-methyl-2-(4-methyl-2-pyridinyl)quinoline;2,4-dichloro-5-fluoro-3-methylquinoline;2,4-dichloro-7-fluoro-3-methylquinoline
SMILESCc1c(Cl)nc2cc(F)ccc2c1Cl.Cc1c(Cl)nc2cccc(F)c2c1Cl.Cc1ccnc(-c2nc3cc(F)ccc3c(Cl)c2C)c1.Cc1ccnc(-c2nc3cccc(F)c3c(Cl)c2C)c1
InChIInChI=1S/2C16H12ClFN2.2C10H6Cl2FN/c1-9-5-6-19-14(7-9)16-10(2)15(17)12-4-3-11(18)8-13(12)20-16;1-9-6-7-19-13(8-9)16-10(2)15(17)14-11(18)4-3-5-12(14)20-16;1-5-9(11)7-3-2-6(13)4-8(7)14-10(5)12;1-5-9(11)8-6(13)3-2-4-7(8)14-10(5)12/h2*3-8H,1-2H3;2*2-4H,1H3
InChIKeyAEZFBZQTTCFOML-UHFFFAOYSA-N
XLogP17.39
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001033.61
LogP ≤ 517.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-chloro-5-fluoro-3-methyl-2-(4-methyl-2-pyridinyl)quinoline;4-chloro-7-fluoro-3-methyl-2-(4-methyl-2-pyridinyl)quinoline;2,4-dichloro-5-fluoro-3-methylquinoline;2,4-dichloro-7-fluoro-3-methylquinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Piperaquine
CID 122262
RSM-932A cation
CID 11239949
N-(3-(4-(3-(bis(quinolin-4-ylmethyl)amino)propyl)piperazin-1-yl)propyl)-7-chloroquinolin-4-amine
CID 10985114
4-[4,7-Bis(7-chloroquinolin-4-yl)-1,4,7-triazonan-1-yl]-7-chloroquinoline
CID 44415157
7-Chloro-4-[4-[2-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]ethyl]piperazin-1-yl]quinoline;hydrochloride
CID 44522352
Tris(1,10-phenanthroline); dichlororuthenium
CID 6096197
Dichlororuthenium--4,7-diphenyl-1,10-phenanthroline (1/3)
CID 11980975
N,N-bis[(2-chloro-6-fluoroquinolin-3-yl)methyl]-1-pyridin-2-ylmethanamine
CID 162651803
7-chloro-4-[4-[(1E,3E)-5-[4-(7-chloroquinolin-4-yl)piperazin-1-ium-1-ylidene]-1,5-bis(4-fluorophenyl)penta-1,3-dienyl]piperazin-1-yl]quinoline tetrafluoroborate
CID 56589555
N-(quinolin-4-ylmethyl)-N',N'-bis[2-(quinolin-4-ylmethylamino)ethyl]ethane-1,2-diamine;hexahydrochloride
CID 155524139
N,N-bis[(2-chloro-6-methylquinolin-3-yl)methyl]-1-pyridin-2-ylmethanamine
CID 162643348
N,N-bis[(2-chloroquinolin-3-yl)methyl]-1-pyridin-2-ylmethanamine
CID 162676374

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-fluoro-3-methyl-2-(4-methyl-2-pyridinyl)quinoline;4-chloro-7-fluoro-3-methyl-2-(4-methyl-2-pyridinyl)quinoline;2,4-dichloro-5-fluoro-3-methylquinoline;2,4-dichloro-7-fluoro-3-methylquinoline?
The IUPAC name of 4-chloro-5-fluoro-3-methyl-2-(4-methyl-2-pyridinyl)quinoline;4-chloro-7-fluoro-3-methyl-2-(4-methyl-2-pyridinyl)quinoline;2,4-dichloro-5-fluoro-3-methylquinoline;2,4-dichloro-7-fluoro-3-methylquinoline (CID 157093924) is 4-chloro-5-fluoro-3-methyl-2-(4-methyl-2-pyridinyl)quinoline;4-chloro-7-fluoro-3-methyl-2-(4-methyl-2-pyridinyl)quinoline;2,4-dichloro-5-fluoro-3-methylquinoline;2,4-dichloro-7-fluoro-3-methylquinoline.
What is the SMILES notation for 4-chloro-5-fluoro-3-methyl-2-(4-methyl-2-pyridinyl)quinoline;4-chloro-7-fluoro-3-methyl-2-(4-methyl-2-pyridinyl)quinoline;2,4-dichloro-5-fluoro-3-methylquinoline;2,4-dichloro-7-fluoro-3-methylquinoline?
The canonical SMILES for 4-chloro-5-fluoro-3-methyl-2-(4-methyl-2-pyridinyl)quinoline;4-chloro-7-fluoro-3-methyl-2-(4-methyl-2-pyridinyl)quinoline;2,4-dichloro-5-fluoro-3-methylquinoline;2,4-dichloro-7-fluoro-3-methylquinoline is Cc1c(Cl)nc2cc(F)ccc2c1Cl.Cc1c(Cl)nc2cccc(F)c2c1Cl.Cc1ccnc(-c2nc3cc(F)ccc3c(Cl)c2C)c1.Cc1ccnc(-c2nc3cccc(F)c3c(Cl)c2C)c1.
What is the InChIKey of 4-chloro-5-fluoro-3-methyl-2-(4-methyl-2-pyridinyl)quinoline;4-chloro-7-fluoro-3-methyl-2-(4-methyl-2-pyridinyl)quinoline;2,4-dichloro-5-fluoro-3-methylquinoline;2,4-dichloro-7-fluoro-3-methylquinoline?
The InChIKey is AEZFBZQTTCFOML-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H12ClFN2.2C10H6Cl2FN/c1-9-5-6-19-14(7-9)16-10(2)15(17)12-4-3-11(18)8-13(12)20-16;1-9-6-7-19-13(8-9)16-10(2)15(17)14-11(18)4-3-5-12(14)20-16;1-5-9(11)7-3-2-6(13)4-8(7)14-10(5)12;1-5-9(11)8-6(13)3-2-4-7(8)14-10(5)12/h2*3-8H,1-2H3;2*2-4H,1H3.
What are the key properties of 4-chloro-5-fluoro-3-methyl-2-(4-methyl-2-pyridinyl)quinoline;4-chloro-7-fluoro-3-methyl-2-(4-methyl-2-pyridinyl)quinoline;2,4-dichloro-5-fluoro-3-methylquinoline;2,4-dichloro-7-fluoro-3-methylquinoline?
4-chloro-5-fluoro-3-methyl-2-(4-methyl-2-pyridinyl)quinoline;4-chloro-7-fluoro-3-methyl-2-(4-methyl-2-pyridinyl)quinoline;2,4-dichloro-5-fluoro-3-methylquinoline;2,4-dichloro-7-fluoro-3-methylquinoline has a molecular weight of 1033.61 g/mol, XLogP of 17.39, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-fluoro-3-methyl-2-(4-methyl-2-pyridinyl)quinoline;4-chloro-7-fluoro-3-methyl-2-(4-methyl-2-pyridinyl)quinoline;2,4-dichloro-5-fluoro-3-methylquinoline;2,4-dichloro-7-fluoro-3-methylquinoline is sourced from PubChem (CID 157093924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).