N-[2-(2,5-difluorophenyl)-4-pyridinyl]quinolin-4-amine

C20H13F2N3 — CID 164628039

IUPACN-[2-(2,5-difluorophenyl)-4-pyridinyl]quinolin-4-amine
SMILESFc1ccc(F)c(-c2cc(Nc3ccnc4ccccc34)ccn2)c1
InChIInChI=1S/C20H13F2N3/c21-13-5-6-17(22)16(11-13)20-12-14(7-9-24-20)25-19-8-10-23-18-4-2-1-3-15(18)19/h1-12H,(H,23,24,25)
InChIKeyYFUBIZQBUUEVQR-UHFFFAOYSA-N
MW333.34 g/mol
LogP5.32
Rot. Bonds3

About N-[2-(2,5-difluorophenyl)-4-pyridinyl]quinolin-4-amine

N-[2-(2,5-difluorophenyl)-4-pyridinyl]quinolin-4-amine (PubChem CID 164628039) has the molecular formula C20H13F2N3 and a molecular weight of 333.34 g/mol. Its IUPAC name is N-[2-(2,5-difluorophenyl)-4-pyridinyl]quinolin-4-amine.

Molecular Properties

Compound NameN-[2-(2,5-difluorophenyl)-4-pyridinyl]quinolin-4-amine
PubChem CID164628039
Molecular FormulaC20H13F2N3
Molecular Weight333.34 g/mol
Exact Mass333.11
IUPAC NameN-[2-(2,5-difluorophenyl)-4-pyridinyl]quinolin-4-amine
SMILESFc1ccc(F)c(-c2cc(Nc3ccnc4ccccc34)ccn2)c1
InChIInChI=1S/C20H13F2N3/c21-13-5-6-17(22)16(11-13)20-12-14(7-9-24-20)25-19-8-10-23-18-4-2-1-3-15(18)19/h1-12H,(H,23,24,25)
InChIKeyYFUBIZQBUUEVQR-UHFFFAOYSA-N
XLogP5.32
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.34
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-difluorophenyl)-4-pyridinyl]quinolin-4-amine?
The IUPAC name of N-[2-(2,5-difluorophenyl)-4-pyridinyl]quinolin-4-amine (CID 164628039) is N-[2-(2,5-difluorophenyl)-4-pyridinyl]quinolin-4-amine.
What is the SMILES notation for N-[2-(2,5-difluorophenyl)-4-pyridinyl]quinolin-4-amine?
The canonical SMILES for N-[2-(2,5-difluorophenyl)-4-pyridinyl]quinolin-4-amine is Fc1ccc(F)c(-c2cc(Nc3ccnc4ccccc34)ccn2)c1.
What is the InChIKey of N-[2-(2,5-difluorophenyl)-4-pyridinyl]quinolin-4-amine?
The InChIKey is YFUBIZQBUUEVQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F2N3/c21-13-5-6-17(22)16(11-13)20-12-14(7-9-24-20)25-19-8-10-23-18-4-2-1-3-15(18)19/h1-12H,(H,23,24,25).
What are the key properties of N-[2-(2,5-difluorophenyl)-4-pyridinyl]quinolin-4-amine?
N-[2-(2,5-difluorophenyl)-4-pyridinyl]quinolin-4-amine has a molecular weight of 333.34 g/mol, XLogP of 5.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-difluorophenyl)-4-pyridinyl]quinolin-4-amine is sourced from PubChem (CID 164628039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).