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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Related Compounds

N-[2-(2,5-difluorophenyl)-4-pyridinyl]-7-thiophen-3-ylquinolin-4-amine
CID 164608888
N-(3,5-difluorophenyl)-6-fluoroquinolin-4-amine
CID 39850789
N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]quinolin-4-amine
CID 118710885
N-(4-chlorophenyl)-7-fluoroquinolin-4-amine
CID 71468200
2-(2-fluorophenyl)-N-pyridin-4-ylpyridin-4-amine
CID 144881536
N-[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]-1H-pyrazolo[4,3-b]pyridin-7-amine
CID 54671064
N-(3-phenoxyphenyl)quinolin-4-amine
CID 44531074
N-[(2,4-difluorophenyl)methyl]quinolin-4-amine
CID 62227376
2-(2-fluorophenyl)-N-pyridin-4-ylquinolin-4-amine
CID 52919256
2-(2-chloro-5-fluorophenyl)-N-pyridin-4-ylquinolin-4-amine
CID 70660103
7-[[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridine-1-carboxamide
CID 54671259
3-[(1-methylpyridin-1-ium-4-yl)amino]-N-[4-(quinolin-4-ylamino)phenyl]benzamide
CID 24858115

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).