4-chloro-5-fluoro-2-(6-methoxy-2-pyridinyl)-3-methylquinoline;4-chloro-7-fluoro-2-(6-methoxy-2-pyridinyl)-3-methylquinoline;2,4-dichloro-5-fluoro-3-methylquinoline;2,4-dichloro-7-fluoro-3-methylquinoline

C52H36Cl6F4N6O2 — CID 159274151

IUPAC4-chloro-5-fluoro-2-(6-methoxy-2-pyridinyl)-3-methylquinoline;4-chloro-7-fluoro-2-(6-methoxy-2-pyridinyl)-3-methylquinoline;2,4-dichloro-5-fluoro-3-methylquinoline;2,4-dichloro-7-fluoro-3-methylquinoline
SMILESCOc1cccc(-c2nc3cc(F)ccc3c(Cl)c2C)n1.COc1cccc(-c2nc3cccc(F)c3c(Cl)c2C)n1.Cc1c(Cl)nc2cc(F)ccc2c1Cl.Cc1c(Cl)nc2cccc(F)c2c1Cl
InChIInChI=1S/2C16H12ClFN2O.2C10H6Cl2FN/c1-9-15(17)14-10(18)5-3-6-11(14)20-16(9)12-7-4-8-13(19-12)21-2;1-9-15(17)11-7-6-10(18)8-13(11)20-16(9)12-4-3-5-14(19-12)21-2;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
InChIKeyKYBWXSWIGXZCNK-UHFFFAOYSA-N
MW1065.61 g/mol
LogP16.79
Rot. Bonds4

About 4-chloro-5-fluoro-2-(6-methoxy-2-pyridinyl)-3-methylquinoline;4-chloro-7-fluoro-2-(6-methoxy-2-pyridinyl)-3-methylquinoline;2,4-dichloro-5-fluoro-3-methylquinoline;2,4-dichloro-7-fluoro-3-methylquinoline

4-chloro-5-fluoro-2-(6-methoxy-2-pyridinyl)-3-methylquinoline;4-chloro-7-fluoro-2-(6-methoxy-2-pyridinyl)-3-methylquinoline;2,4-dichloro-5-fluoro-3-methylquinoline;2,4-dichloro-7-fluoro-3-methylquinoline (PubChem CID 159274151) has the molecular formula C52H36Cl6F4N6O2 and a molecular weight of 1065.61 g/mol. Its IUPAC name is 4-chloro-5-fluoro-2-(6-methoxy-2-pyridinyl)-3-methylquinoline;4-chloro-7-fluoro-2-(6-methoxy-2-pyridinyl)-3-methylquinoline;2,4-dichloro-5-fluoro-3-methylquinoline;2,4-dichloro-7-fluoro-3-methylquinoline.

Molecular Properties

Compound Name4-chloro-5-fluoro-2-(6-methoxy-2-pyridinyl)-3-methylquinoline;4-chloro-7-fluoro-2-(6-methoxy-2-pyridinyl)-3-methylquinoline;2,4-dichloro-5-fluoro-3-methylquinoline;2,4-dichloro-7-fluoro-3-methylquinoline
PubChem CID159274151
Molecular FormulaC52H36Cl6F4N6O2
Molecular Weight1065.61 g/mol
Exact Mass1062.10
IUPAC Name4-chloro-5-fluoro-2-(6-methoxy-2-pyridinyl)-3-methylquinoline;4-chloro-7-fluoro-2-(6-methoxy-2-pyridinyl)-3-methylquinoline;2,4-dichloro-5-fluoro-3-methylquinoline;2,4-dichloro-7-fluoro-3-methylquinoline
SMILESCOc1cccc(-c2nc3cc(F)ccc3c(Cl)c2C)n1.COc1cccc(-c2nc3cccc(F)c3c(Cl)c2C)n1.Cc1c(Cl)nc2cc(F)ccc2c1Cl.Cc1c(Cl)nc2cccc(F)c2c1Cl
InChIInChI=1S/2C16H12ClFN2O.2C10H6Cl2FN/c1-9-15(17)14-10(18)5-3-6-11(14)20-16(9)12-7-4-8-13(19-12)21-2;1-9-15(17)11-7-6-10(18)8-13(11)20-16(9)12-4-3-5-14(19-12)21-2;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
InChIKeyKYBWXSWIGXZCNK-UHFFFAOYSA-N
XLogP16.79
TPSA95.80 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001065.61
LogP ≤ 516.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-fluoro-2-(6-methoxy-2-pyridinyl)-3-methylquinoline;4-chloro-7-fluoro-2-(6-methoxy-2-pyridinyl)-3-methylquinoline;2,4-dichloro-5-fluoro-3-methylquinoline;2,4-dichloro-7-fluoro-3-methylquinoline?
The IUPAC name of 4-chloro-5-fluoro-2-(6-methoxy-2-pyridinyl)-3-methylquinoline;4-chloro-7-fluoro-2-(6-methoxy-2-pyridinyl)-3-methylquinoline;2,4-dichloro-5-fluoro-3-methylquinoline;2,4-dichloro-7-fluoro-3-methylquinoline (CID 159274151) is 4-chloro-5-fluoro-2-(6-methoxy-2-pyridinyl)-3-methylquinoline;4-chloro-7-fluoro-2-(6-methoxy-2-pyridinyl)-3-methylquinoline;2,4-dichloro-5-fluoro-3-methylquinoline;2,4-dichloro-7-fluoro-3-methylquinoline.
What is the SMILES notation for 4-chloro-5-fluoro-2-(6-methoxy-2-pyridinyl)-3-methylquinoline;4-chloro-7-fluoro-2-(6-methoxy-2-pyridinyl)-3-methylquinoline;2,4-dichloro-5-fluoro-3-methylquinoline;2,4-dichloro-7-fluoro-3-methylquinoline?
The canonical SMILES for 4-chloro-5-fluoro-2-(6-methoxy-2-pyridinyl)-3-methylquinoline;4-chloro-7-fluoro-2-(6-methoxy-2-pyridinyl)-3-methylquinoline;2,4-dichloro-5-fluoro-3-methylquinoline;2,4-dichloro-7-fluoro-3-methylquinoline is COc1cccc(-c2nc3cc(F)ccc3c(Cl)c2C)n1.COc1cccc(-c2nc3cccc(F)c3c(Cl)c2C)n1.Cc1c(Cl)nc2cc(F)ccc2c1Cl.Cc1c(Cl)nc2cccc(F)c2c1Cl.
What is the InChIKey of 4-chloro-5-fluoro-2-(6-methoxy-2-pyridinyl)-3-methylquinoline;4-chloro-7-fluoro-2-(6-methoxy-2-pyridinyl)-3-methylquinoline;2,4-dichloro-5-fluoro-3-methylquinoline;2,4-dichloro-7-fluoro-3-methylquinoline?
The InChIKey is KYBWXSWIGXZCNK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H12ClFN2O.2C10H6Cl2FN/c1-9-15(17)14-10(18)5-3-6-11(14)20-16(9)12-7-4-8-13(19-12)21-2;1-9-15(17)11-7-6-10(18)8-13(11)20-16(9)12-4-3-5-14(19-12)21-2;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-2-(6-methoxy-2-pyridinyl)-3-methylquinoline;4-chloro-7-fluoro-2-(6-methoxy-2-pyridinyl)-3-methylquinoline;2,4-dichloro-5-fluoro-3-methylquinoline;2,4-dichloro-7-fluoro-3-methylquinoline?
4-chloro-5-fluoro-2-(6-methoxy-2-pyridinyl)-3-methylquinoline;4-chloro-7-fluoro-2-(6-methoxy-2-pyridinyl)-3-methylquinoline;2,4-dichloro-5-fluoro-3-methylquinoline;2,4-dichloro-7-fluoro-3-methylquinoline has a molecular weight of 1065.61 g/mol, XLogP of 16.79, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-fluoro-2-(6-methoxy-2-pyridinyl)-3-methylquinoline;4-chloro-7-fluoro-2-(6-methoxy-2-pyridinyl)-3-methylquinoline;2,4-dichloro-5-fluoro-3-methylquinoline;2,4-dichloro-7-fluoro-3-methylquinoline is sourced from PubChem (CID 159274151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).