2-(5-chloro-2-fluorophenyl)-N-[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]-N-pyrimidin-4-ylquinolin-4-amine

C34H19Cl2F2N5 — CID 70660171

IUPAC2-(5-chloro-2-fluorophenyl)-N-[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]-N-pyrimidin-4-ylquinolin-4-amine
SMILESFc1ccc(Cl)cc1-c1cc(N(c2ccncn2)c2cc(-c3cc(Cl)ccc3F)nc3ccccc23)c2ccccc2n1
InChIInChI=1S/C34H19Cl2F2N5/c35-20-9-11-26(37)24(15-20)30-17-32(22-5-1-3-7-28(22)41-30)43(34-13-14-39-19-40-34)33-18-31(25-16-21(36)10-12-27(25)38)42-29-8-4-2-6-23(29)33/h1-19H
InChIKeyWHZVSXLFNBFTEJ-UHFFFAOYSA-N
MW606.46 g/mol
LogP9.96
Rot. Bonds5

About 2-(5-chloro-2-fluorophenyl)-N-[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]-N-pyrimidin-4-ylquinolin-4-amine

2-(5-chloro-2-fluorophenyl)-N-[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]-N-pyrimidin-4-ylquinolin-4-amine (PubChem CID 70660171) has the molecular formula C34H19Cl2F2N5 and a molecular weight of 606.46 g/mol. Its IUPAC name is 2-(5-chloro-2-fluorophenyl)-N-[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]-N-pyrimidin-4-ylquinolin-4-amine.

Molecular Properties

Compound Name2-(5-chloro-2-fluorophenyl)-N-[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]-N-pyrimidin-4-ylquinolin-4-amine
PubChem CID70660171
Molecular FormulaC34H19Cl2F2N5
Molecular Weight606.46 g/mol
Exact Mass605.10
IUPAC Name2-(5-chloro-2-fluorophenyl)-N-[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]-N-pyrimidin-4-ylquinolin-4-amine
SMILESFc1ccc(Cl)cc1-c1cc(N(c2ccncn2)c2cc(-c3cc(Cl)ccc3F)nc3ccccc23)c2ccccc2n1
InChIInChI=1S/C34H19Cl2F2N5/c35-20-9-11-26(37)24(15-20)30-17-32(22-5-1-3-7-28(22)41-30)43(34-13-14-39-19-40-34)33-18-31(25-16-21(36)10-12-27(25)38)42-29-8-4-2-6-23(29)33/h1-19H
InChIKeyWHZVSXLFNBFTEJ-UHFFFAOYSA-N
XLogP9.96
TPSA54.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500606.46
LogP ≤ 59.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-fluorophenyl)-N-[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]-N-pyrimidin-4-ylquinolin-4-amine?
The IUPAC name of 2-(5-chloro-2-fluorophenyl)-N-[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]-N-pyrimidin-4-ylquinolin-4-amine (CID 70660171) is 2-(5-chloro-2-fluorophenyl)-N-[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]-N-pyrimidin-4-ylquinolin-4-amine.
What is the SMILES notation for 2-(5-chloro-2-fluorophenyl)-N-[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]-N-pyrimidin-4-ylquinolin-4-amine?
The canonical SMILES for 2-(5-chloro-2-fluorophenyl)-N-[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]-N-pyrimidin-4-ylquinolin-4-amine is Fc1ccc(Cl)cc1-c1cc(N(c2ccncn2)c2cc(-c3cc(Cl)ccc3F)nc3ccccc23)c2ccccc2n1.
What is the InChIKey of 2-(5-chloro-2-fluorophenyl)-N-[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]-N-pyrimidin-4-ylquinolin-4-amine?
The InChIKey is WHZVSXLFNBFTEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H19Cl2F2N5/c35-20-9-11-26(37)24(15-20)30-17-32(22-5-1-3-7-28(22)41-30)43(34-13-14-39-19-40-34)33-18-31(25-16-21(36)10-12-27(25)38)42-29-8-4-2-6-23(29)33/h1-19H.
What are the key properties of 2-(5-chloro-2-fluorophenyl)-N-[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]-N-pyrimidin-4-ylquinolin-4-amine?
2-(5-chloro-2-fluorophenyl)-N-[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]-N-pyrimidin-4-ylquinolin-4-amine has a molecular weight of 606.46 g/mol, XLogP of 9.96, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-fluorophenyl)-N-[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]-N-pyrimidin-4-ylquinolin-4-amine is sourced from PubChem (CID 70660171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).