7-[(3-fluoroanilino)methyl]quinolin-2-amine

C16H14FN3 — CID 118266141

IUPAC7-[(3-fluoroanilino)methyl]quinolin-2-amine
SMILESNc1ccc2ccc(CNc3cccc(F)c3)cc2n1
InChIInChI=1S/C16H14FN3/c17-13-2-1-3-14(9-13)19-10-11-4-5-12-6-7-16(18)20-15(12)8-11/h1-9,19H,10H2,(H2,18,20)
InChIKeyUVVDQBVYPPCDJF-UHFFFAOYSA-N
MW267.31 g/mol
LogP3.57
Rot. Bonds3

About 7-[(3-fluoroanilino)methyl]quinolin-2-amine

7-[(3-fluoroanilino)methyl]quinolin-2-amine (PubChem CID 118266141) has the molecular formula C16H14FN3 and a molecular weight of 267.31 g/mol. Its IUPAC name is 7-[(3-fluoroanilino)methyl]quinolin-2-amine.

Molecular Properties

Compound Name7-[(3-fluoroanilino)methyl]quinolin-2-amine
PubChem CID118266141
Molecular FormulaC16H14FN3
Molecular Weight267.31 g/mol
Exact Mass267.12
IUPAC Name7-[(3-fluoroanilino)methyl]quinolin-2-amine
SMILESNc1ccc2ccc(CNc3cccc(F)c3)cc2n1
InChIInChI=1S/C16H14FN3/c17-13-2-1-3-14(9-13)19-10-11-4-5-12-6-7-16(18)20-15(12)8-11/h1-9,19H,10H2,(H2,18,20)
InChIKeyUVVDQBVYPPCDJF-UHFFFAOYSA-N
XLogP3.57
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-[(3-fluoroanilino)methyl]quinolin-2-amine?
The IUPAC name of 7-[(3-fluoroanilino)methyl]quinolin-2-amine (CID 118266141) is 7-[(3-fluoroanilino)methyl]quinolin-2-amine.
What is the SMILES notation for 7-[(3-fluoroanilino)methyl]quinolin-2-amine?
The canonical SMILES for 7-[(3-fluoroanilino)methyl]quinolin-2-amine is Nc1ccc2ccc(CNc3cccc(F)c3)cc2n1.
What is the InChIKey of 7-[(3-fluoroanilino)methyl]quinolin-2-amine?
The InChIKey is UVVDQBVYPPCDJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3/c17-13-2-1-3-14(9-13)19-10-11-4-5-12-6-7-16(18)20-15(12)8-11/h1-9,19H,10H2,(H2,18,20).
What are the key properties of 7-[(3-fluoroanilino)methyl]quinolin-2-amine?
7-[(3-fluoroanilino)methyl]quinolin-2-amine has a molecular weight of 267.31 g/mol, XLogP of 3.57, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3-fluoroanilino)methyl]quinolin-2-amine is sourced from PubChem (CID 118266141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).