2-(5-chloro-2-fluorophenyl)-N-(7-methoxyquinolin-4-yl)quinolin-4-amine

C25H17ClFN3O — CID 70660046

IUPAC2-(5-chloro-2-fluorophenyl)-N-(7-methoxyquinolin-4-yl)quinolin-4-amine
SMILESCOc1ccc2c(Nc3cc(-c4cc(Cl)ccc4F)nc4ccccc34)ccnc2c1
InChIInChI=1S/C25H17ClFN3O/c1-31-16-7-8-18-22(10-11-28-23(18)13-16)30-24-14-25(19-12-15(26)6-9-20(19)27)29-21-5-3-2-4-17(21)24/h2-14H,1H3,(H,28,29,30)
InChIKeyOEAUGFAOWYYNNT-UHFFFAOYSA-N
MW429.88 g/mol
LogP6.99
Rot. Bonds4

About 2-(5-chloro-2-fluorophenyl)-N-(7-methoxyquinolin-4-yl)quinolin-4-amine

2-(5-chloro-2-fluorophenyl)-N-(7-methoxyquinolin-4-yl)quinolin-4-amine (PubChem CID 70660046) has the molecular formula C25H17ClFN3O and a molecular weight of 429.88 g/mol. Its IUPAC name is 2-(5-chloro-2-fluorophenyl)-N-(7-methoxyquinolin-4-yl)quinolin-4-amine.

Molecular Properties

Compound Name2-(5-chloro-2-fluorophenyl)-N-(7-methoxyquinolin-4-yl)quinolin-4-amine
PubChem CID70660046
Molecular FormulaC25H17ClFN3O
Molecular Weight429.88 g/mol
Exact Mass429.10
IUPAC Name2-(5-chloro-2-fluorophenyl)-N-(7-methoxyquinolin-4-yl)quinolin-4-amine
SMILESCOc1ccc2c(Nc3cc(-c4cc(Cl)ccc4F)nc4ccccc34)ccnc2c1
InChIInChI=1S/C25H17ClFN3O/c1-31-16-7-8-18-22(10-11-28-23(18)13-16)30-24-14-25(19-12-15(26)6-9-20(19)27)29-21-5-3-2-4-17(21)24/h2-14H,1H3,(H,28,29,30)
InChIKeyOEAUGFAOWYYNNT-UHFFFAOYSA-N
XLogP6.99
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.88
LogP ≤ 56.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-fluorophenyl)-N-(7-methoxyquinolin-4-yl)quinolin-4-amine?
The IUPAC name of 2-(5-chloro-2-fluorophenyl)-N-(7-methoxyquinolin-4-yl)quinolin-4-amine (CID 70660046) is 2-(5-chloro-2-fluorophenyl)-N-(7-methoxyquinolin-4-yl)quinolin-4-amine.
What is the SMILES notation for 2-(5-chloro-2-fluorophenyl)-N-(7-methoxyquinolin-4-yl)quinolin-4-amine?
The canonical SMILES for 2-(5-chloro-2-fluorophenyl)-N-(7-methoxyquinolin-4-yl)quinolin-4-amine is COc1ccc2c(Nc3cc(-c4cc(Cl)ccc4F)nc4ccccc34)ccnc2c1.
What is the InChIKey of 2-(5-chloro-2-fluorophenyl)-N-(7-methoxyquinolin-4-yl)quinolin-4-amine?
The InChIKey is OEAUGFAOWYYNNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17ClFN3O/c1-31-16-7-8-18-22(10-11-28-23(18)13-16)30-24-14-25(19-12-15(26)6-9-20(19)27)29-21-5-3-2-4-17(21)24/h2-14H,1H3,(H,28,29,30).
What are the key properties of 2-(5-chloro-2-fluorophenyl)-N-(7-methoxyquinolin-4-yl)quinolin-4-amine?
2-(5-chloro-2-fluorophenyl)-N-(7-methoxyquinolin-4-yl)quinolin-4-amine has a molecular weight of 429.88 g/mol, XLogP of 6.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-fluorophenyl)-N-(7-methoxyquinolin-4-yl)quinolin-4-amine is sourced from PubChem (CID 70660046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).