2-(5-chloro-2-fluorophenyl)-N-(pyridin-3-ylmethyl)quinolin-4-amine

C21H15ClFN3 — CID 70660144

IUPAC2-(5-chloro-2-fluorophenyl)-N-(pyridin-3-ylmethyl)quinolin-4-amine
SMILESFc1ccc(Cl)cc1-c1cc(NCc2cccnc2)c2ccccc2n1
InChIInChI=1S/C21H15ClFN3/c22-15-7-8-18(23)17(10-15)21-11-20(16-5-1-2-6-19(16)26-21)25-13-14-4-3-9-24-12-14/h1-12H,13H2,(H,25,26)
InChIKeyXBXQJGJOPLKOPB-UHFFFAOYSA-N
MW363.82 g/mol
LogP5.70
Rot. Bonds4

About 2-(5-chloro-2-fluorophenyl)-N-(pyridin-3-ylmethyl)quinolin-4-amine

2-(5-chloro-2-fluorophenyl)-N-(pyridin-3-ylmethyl)quinolin-4-amine (PubChem CID 70660144) has the molecular formula C21H15ClFN3 and a molecular weight of 363.82 g/mol. Its IUPAC name is 2-(5-chloro-2-fluorophenyl)-N-(pyridin-3-ylmethyl)quinolin-4-amine.

Molecular Properties

Compound Name2-(5-chloro-2-fluorophenyl)-N-(pyridin-3-ylmethyl)quinolin-4-amine
PubChem CID70660144
Molecular FormulaC21H15ClFN3
Molecular Weight363.82 g/mol
Exact Mass363.09
IUPAC Name2-(5-chloro-2-fluorophenyl)-N-(pyridin-3-ylmethyl)quinolin-4-amine
SMILESFc1ccc(Cl)cc1-c1cc(NCc2cccnc2)c2ccccc2n1
InChIInChI=1S/C21H15ClFN3/c22-15-7-8-18(23)17(10-15)21-11-20(16-5-1-2-6-19(16)26-21)25-13-14-4-3-9-24-12-14/h1-12H,13H2,(H,25,26)
InChIKeyXBXQJGJOPLKOPB-UHFFFAOYSA-N
XLogP5.70
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.82
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(5-chloro-2-fluorophenyl)-N-(pyridin-3-ylmethyl)quinolin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-chloro-2-methyl-N-(pyridin-3-ylmethyl)quinolin-4-amine
CID 719910
[[4-[[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]-methylamino]-3-pyridinyl]amino]methanol
CID 70661362
N-[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]pyridine-4-carboxamide
CID 70660095
4-N-(pyridin-3-ylmethyl)quinazoline-2,4-diamine
CID 80773541
2-(5-chloro-2-fluorophenyl)-4-isoquinolin-4-ylquinoline
CID 67365445
2-N-[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]pyridine-2,4-diamine
CID 70660140
N-(pyridin-3-ylmethyl)acridin-9-amine;hydrochloride
CID 18558676
CID 88944352
CID 88944352
1-(4-chloro-2-fluorophenyl)-3-(pyridin-3-ylmethyl)urea
CID 47125736
N-[4-[[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]amino]-3-pyridinyl]-3-(dimethylamino)propanamide
CID 70660142
5-phenyl-N-(pyridin-3-ylmethyl)furo[3,2-b]pyridin-7-amine
CID 118486383
4-methyl-N-(pyridin-3-ylmethyl)quinolin-2-amine
CID 772620

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-fluorophenyl)-N-(pyridin-3-ylmethyl)quinolin-4-amine?
The IUPAC name of 2-(5-chloro-2-fluorophenyl)-N-(pyridin-3-ylmethyl)quinolin-4-amine (CID 70660144) is 2-(5-chloro-2-fluorophenyl)-N-(pyridin-3-ylmethyl)quinolin-4-amine.
What is the SMILES notation for 2-(5-chloro-2-fluorophenyl)-N-(pyridin-3-ylmethyl)quinolin-4-amine?
The canonical SMILES for 2-(5-chloro-2-fluorophenyl)-N-(pyridin-3-ylmethyl)quinolin-4-amine is Fc1ccc(Cl)cc1-c1cc(NCc2cccnc2)c2ccccc2n1.
What is the InChIKey of 2-(5-chloro-2-fluorophenyl)-N-(pyridin-3-ylmethyl)quinolin-4-amine?
The InChIKey is XBXQJGJOPLKOPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClFN3/c22-15-7-8-18(23)17(10-15)21-11-20(16-5-1-2-6-19(16)26-21)25-13-14-4-3-9-24-12-14/h1-12H,13H2,(H,25,26).
What are the key properties of 2-(5-chloro-2-fluorophenyl)-N-(pyridin-3-ylmethyl)quinolin-4-amine?
2-(5-chloro-2-fluorophenyl)-N-(pyridin-3-ylmethyl)quinolin-4-amine has a molecular weight of 363.82 g/mol, XLogP of 5.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-fluorophenyl)-N-(pyridin-3-ylmethyl)quinolin-4-amine is sourced from PubChem (CID 70660144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).