2-N-[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]pyridine-2,4-diamine

C20H14ClFN4 — CID 70660140

IUPAC2-N-[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]pyridine-2,4-diamine
SMILESNc1ccnc(Nc2cc(-c3cc(Cl)ccc3F)nc3ccccc23)c1
InChIInChI=1S/C20H14ClFN4/c21-12-5-6-16(22)15(9-12)19-11-18(14-3-1-2-4-17(14)25-19)26-20-10-13(23)7-8-24-20/h1-11H,(H3,23,24,25,26)
InChIKeyMQVAQUQUJDYVMJ-UHFFFAOYSA-N
MW364.81 g/mol
LogP5.42
Rot. Bonds3

About 2-N-[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]pyridine-2,4-diamine

2-N-[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]pyridine-2,4-diamine (PubChem CID 70660140) has the molecular formula C20H14ClFN4 and a molecular weight of 364.81 g/mol. Its IUPAC name is 2-N-[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]pyridine-2,4-diamine.

Molecular Properties

Compound Name2-N-[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]pyridine-2,4-diamine
PubChem CID70660140
Molecular FormulaC20H14ClFN4
Molecular Weight364.81 g/mol
Exact Mass364.09
IUPAC Name2-N-[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]pyridine-2,4-diamine
SMILESNc1ccnc(Nc2cc(-c3cc(Cl)ccc3F)nc3ccccc23)c1
InChIInChI=1S/C20H14ClFN4/c21-12-5-6-16(22)15(9-12)19-11-18(14-3-1-2-4-17(14)25-19)26-20-10-13(23)7-8-24-20/h1-11H,(H3,23,24,25,26)
InChIKeyMQVAQUQUJDYVMJ-UHFFFAOYSA-N
XLogP5.42
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.81
LogP ≤ 55.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]pyridine-2,4-diamine?
The IUPAC name of 2-N-[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]pyridine-2,4-diamine (CID 70660140) is 2-N-[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]pyridine-2,4-diamine.
What is the SMILES notation for 2-N-[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]pyridine-2,4-diamine?
The canonical SMILES for 2-N-[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]pyridine-2,4-diamine is Nc1ccnc(Nc2cc(-c3cc(Cl)ccc3F)nc3ccccc23)c1.
What is the InChIKey of 2-N-[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]pyridine-2,4-diamine?
The InChIKey is MQVAQUQUJDYVMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClFN4/c21-12-5-6-16(22)15(9-12)19-11-18(14-3-1-2-4-17(14)25-19)26-20-10-13(23)7-8-24-20/h1-11H,(H3,23,24,25,26).
What are the key properties of 2-N-[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]pyridine-2,4-diamine?
2-N-[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]pyridine-2,4-diamine has a molecular weight of 364.81 g/mol, XLogP of 5.42, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]pyridine-2,4-diamine is sourced from PubChem (CID 70660140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).