2-N-[(3-fluorophenyl)methyl]-6-N-(pyridin-3-ylmethyl)quinoline-2,6-diamine

C22H19FN4 — CID 68576188

IUPAC2-N-[(3-fluorophenyl)methyl]-6-N-(pyridin-3-ylmethyl)quinoline-2,6-diamine
SMILESFc1cccc(CNc2ccc3cc(NCc4cccnc4)ccc3n2)c1
InChIInChI=1S/C22H19FN4/c23-19-5-1-3-16(11-19)14-26-22-9-6-18-12-20(7-8-21(18)27-22)25-15-17-4-2-10-24-13-17/h1-13,25H,14-15H2,(H,26,27)
InChIKeyHAUCGPNLHLPFRF-UHFFFAOYSA-N
MW358.42 g/mol
LogP4.99
Rot. Bonds6

About 2-N-[(3-fluorophenyl)methyl]-6-N-(pyridin-3-ylmethyl)quinoline-2,6-diamine

2-N-[(3-fluorophenyl)methyl]-6-N-(pyridin-3-ylmethyl)quinoline-2,6-diamine (PubChem CID 68576188) has the molecular formula C22H19FN4 and a molecular weight of 358.42 g/mol. Its IUPAC name is 2-N-[(3-fluorophenyl)methyl]-6-N-(pyridin-3-ylmethyl)quinoline-2,6-diamine.

Molecular Properties

Compound Name2-N-[(3-fluorophenyl)methyl]-6-N-(pyridin-3-ylmethyl)quinoline-2,6-diamine
PubChem CID68576188
Molecular FormulaC22H19FN4
Molecular Weight358.42 g/mol
Exact Mass358.16
IUPAC Name2-N-[(3-fluorophenyl)methyl]-6-N-(pyridin-3-ylmethyl)quinoline-2,6-diamine
SMILESFc1cccc(CNc2ccc3cc(NCc4cccnc4)ccc3n2)c1
InChIInChI=1S/C22H19FN4/c23-19-5-1-3-16(11-19)14-26-22-9-6-18-12-20(7-8-21(18)27-22)25-15-17-4-2-10-24-13-17/h1-13,25H,14-15H2,(H,26,27)
InChIKeyHAUCGPNLHLPFRF-UHFFFAOYSA-N
XLogP4.99
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-(2-phenoxyethyl)-6-N-(pyridin-3-ylmethyl)quinoline-2,6-diamine
CID 25235487
N-(pyridin-3-ylmethyl)quinolin-6-amine
CID 53392291
3-fluoro-N-[6-(pyridin-3-ylmethylamino)-3-pyridinyl]benzamide
CID 113012780
2-N-[(4-fluoro-2-methoxyphenyl)methyl]-4-phenyl-6-N-(pyridin-3-ylmethyl)quinoline-2,6-diamine
CID 25235573
N-(pyridin-3-ylmethyl)pyridin-3-amine
CID 13304847
2-N-ethyl-6-N-[(3-fluorophenyl)methyl]pyridine-2,6-diamine
CID 80771478
6-bromo-N-[(3-fluorophenyl)methyl]pyrazin-2-amine
CID 90412213
5-fluoro-3-N-(pyridin-3-ylmethyl)benzene-1,3-diamine
CID 60876890
5-chloro-N-[(3-fluorophenyl)methyl]-6-(3-methoxy-4-pyridinyl)pyridin-2-amine
CID 66954781
N-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]quinolin-2-amine
CID 133274441
6-fluoro-N-(pyridin-3-ylmethyl)-2-(trifluoromethyl)quinazolin-4-amine
CID 110431666
N-[2-(3-fluorophenyl)ethyl]quinolin-2-amine
CID 43400469

Frequently Asked Questions

What is the IUPAC name of 2-N-[(3-fluorophenyl)methyl]-6-N-(pyridin-3-ylmethyl)quinoline-2,6-diamine?
The IUPAC name of 2-N-[(3-fluorophenyl)methyl]-6-N-(pyridin-3-ylmethyl)quinoline-2,6-diamine (CID 68576188) is 2-N-[(3-fluorophenyl)methyl]-6-N-(pyridin-3-ylmethyl)quinoline-2,6-diamine.
What is the SMILES notation for 2-N-[(3-fluorophenyl)methyl]-6-N-(pyridin-3-ylmethyl)quinoline-2,6-diamine?
The canonical SMILES for 2-N-[(3-fluorophenyl)methyl]-6-N-(pyridin-3-ylmethyl)quinoline-2,6-diamine is Fc1cccc(CNc2ccc3cc(NCc4cccnc4)ccc3n2)c1.
What is the InChIKey of 2-N-[(3-fluorophenyl)methyl]-6-N-(pyridin-3-ylmethyl)quinoline-2,6-diamine?
The InChIKey is HAUCGPNLHLPFRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN4/c23-19-5-1-3-16(11-19)14-26-22-9-6-18-12-20(7-8-21(18)27-22)25-15-17-4-2-10-24-13-17/h1-13,25H,14-15H2,(H,26,27).
What are the key properties of 2-N-[(3-fluorophenyl)methyl]-6-N-(pyridin-3-ylmethyl)quinoline-2,6-diamine?
2-N-[(3-fluorophenyl)methyl]-6-N-(pyridin-3-ylmethyl)quinoline-2,6-diamine has a molecular weight of 358.42 g/mol, XLogP of 4.99, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(3-fluorophenyl)methyl]-6-N-(pyridin-3-ylmethyl)quinoline-2,6-diamine is sourced from PubChem (CID 68576188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).