3-chloro-N-[(8-fluoroquinolin-3-yl)methyl]pyridin-4-amine

C15H11ClFN3 — CID 166359728

IUPAC3-chloro-N-[(8-fluoroquinolin-3-yl)methyl]pyridin-4-amine
SMILESFc1cccc2cc(CNc3ccncc3Cl)cnc12
InChIInChI=1S/C15H11ClFN3/c16-12-9-18-5-4-14(12)19-7-10-6-11-2-1-3-13(17)15(11)20-8-10/h1-6,8-9H,7H2,(H,18,19)
InChIKeySGIJSVRGOJTESP-UHFFFAOYSA-N
MW287.73 g/mol
LogP4.03
Rot. Bonds3

About 3-chloro-N-[(8-fluoroquinolin-3-yl)methyl]pyridin-4-amine

3-chloro-N-[(8-fluoroquinolin-3-yl)methyl]pyridin-4-amine (PubChem CID 166359728) has the molecular formula C15H11ClFN3 and a molecular weight of 287.73 g/mol. Its IUPAC name is 3-chloro-N-[(8-fluoroquinolin-3-yl)methyl]pyridin-4-amine.

Molecular Properties

Compound Name3-chloro-N-[(8-fluoroquinolin-3-yl)methyl]pyridin-4-amine
PubChem CID166359728
Molecular FormulaC15H11ClFN3
Molecular Weight287.73 g/mol
Exact Mass287.06
IUPAC Name3-chloro-N-[(8-fluoroquinolin-3-yl)methyl]pyridin-4-amine
SMILESFc1cccc2cc(CNc3ccncc3Cl)cnc12
InChIInChI=1S/C15H11ClFN3/c16-12-9-18-5-4-14(12)19-7-10-6-11-2-1-3-13(17)15(11)20-8-10/h1-6,8-9H,7H2,(H,18,19)
InChIKeySGIJSVRGOJTESP-UHFFFAOYSA-N
XLogP4.03
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.73
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(8-fluoroquinolin-3-yl)methyl]pyridin-4-amine?
The IUPAC name of 3-chloro-N-[(8-fluoroquinolin-3-yl)methyl]pyridin-4-amine (CID 166359728) is 3-chloro-N-[(8-fluoroquinolin-3-yl)methyl]pyridin-4-amine.
What is the SMILES notation for 3-chloro-N-[(8-fluoroquinolin-3-yl)methyl]pyridin-4-amine?
The canonical SMILES for 3-chloro-N-[(8-fluoroquinolin-3-yl)methyl]pyridin-4-amine is Fc1cccc2cc(CNc3ccncc3Cl)cnc12.
What is the InChIKey of 3-chloro-N-[(8-fluoroquinolin-3-yl)methyl]pyridin-4-amine?
The InChIKey is SGIJSVRGOJTESP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClFN3/c16-12-9-18-5-4-14(12)19-7-10-6-11-2-1-3-13(17)15(11)20-8-10/h1-6,8-9H,7H2,(H,18,19).
What are the key properties of 3-chloro-N-[(8-fluoroquinolin-3-yl)methyl]pyridin-4-amine?
3-chloro-N-[(8-fluoroquinolin-3-yl)methyl]pyridin-4-amine has a molecular weight of 287.73 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(8-fluoroquinolin-3-yl)methyl]pyridin-4-amine is sourced from PubChem (CID 166359728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).