8-fluoro-2-methyl-N-[3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]quinolin-4-amine

C22H25FN4 — CID 133393992

IUPAC8-fluoro-2-methyl-N-[3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]quinolin-4-amine
SMILESCc1cc(NC2CCN(Cc3ccccn3)CC2C)c2cccc(F)c2n1
InChIInChI=1S/C22H25FN4/c1-15-13-27(14-17-6-3-4-10-24-17)11-9-20(15)26-21-12-16(2)25-22-18(21)7-5-8-19(22)23/h3-8,10,12,15,20H,9,11,13-14H2,1-2H3,(H,25,26)
InChIKeyXRNXHZNHBYPIKS-UHFFFAOYSA-N
MW364.47 g/mol
LogP4.40
Rot. Bonds4

About 8-fluoro-2-methyl-N-[3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]quinolin-4-amine

8-fluoro-2-methyl-N-[3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]quinolin-4-amine (PubChem CID 133393992) has the molecular formula C22H25FN4 and a molecular weight of 364.47 g/mol. Its IUPAC name is 8-fluoro-2-methyl-N-[3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]quinolin-4-amine.

Molecular Properties

Compound Name8-fluoro-2-methyl-N-[3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]quinolin-4-amine
PubChem CID133393992
Molecular FormulaC22H25FN4
Molecular Weight364.47 g/mol
Exact Mass364.21
IUPAC Name8-fluoro-2-methyl-N-[3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]quinolin-4-amine
SMILESCc1cc(NC2CCN(Cc3ccccn3)CC2C)c2cccc(F)c2n1
InChIInChI=1S/C22H25FN4/c1-15-13-27(14-17-6-3-4-10-24-17)11-9-20(15)26-21-12-16(2)25-22-18(21)7-5-8-19(22)23/h3-8,10,12,15,20H,9,11,13-14H2,1-2H3,(H,25,26)
InChIKeyXRNXHZNHBYPIKS-UHFFFAOYSA-N
XLogP4.40
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 8-fluoro-2-methyl-N-[3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]quinolin-4-amine with MolForge

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Related Compounds

2-fluoro-6-[[(3S,4R)-3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]benzonitrile
CID 98768835
2-fluoro-6-[[(3S,4S)-3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]benzonitrile
CID 95980421
1-[2-fluoro-6-[[(3R,4R)-3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]phenyl]ethanone
CID 124866036
1-[2-fluoro-6-[[(3R,4S)-3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]phenyl]ethanone
CID 96503542
2-[[(3S,4S)-3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]pyridine-3-carbonitrile
CID 95980423
6-ethoxy-N-[(3R,4S)-3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]pyrimidin-4-amine
CID 124735936
methyl 4-[[(3R,4R)-3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]piperidine-1-carboxylate
CID 124732005
2-[(3-bromo-4-methylpiperidin-1-yl)methyl]pyridine
CID 102960286
2-[(1S)-1-[[(3S,4R)-3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]propyl]phenol
CID 99701828
1-[(3S,4S)-3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]-3-phenylurea
CID 95629029
2-[(1S)-1-[[(3S,4S)-3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]propyl]phenol
CID 99701830
4-methyl-2-[(3R)-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]pyrimidine
CID 124999909

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-2-methyl-N-[3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]quinolin-4-amine?
The IUPAC name of 8-fluoro-2-methyl-N-[3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]quinolin-4-amine (CID 133393992) is 8-fluoro-2-methyl-N-[3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]quinolin-4-amine.
What is the SMILES notation for 8-fluoro-2-methyl-N-[3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]quinolin-4-amine?
The canonical SMILES for 8-fluoro-2-methyl-N-[3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]quinolin-4-amine is Cc1cc(NC2CCN(Cc3ccccn3)CC2C)c2cccc(F)c2n1.
What is the InChIKey of 8-fluoro-2-methyl-N-[3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]quinolin-4-amine?
The InChIKey is XRNXHZNHBYPIKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN4/c1-15-13-27(14-17-6-3-4-10-24-17)11-9-20(15)26-21-12-16(2)25-22-18(21)7-5-8-19(22)23/h3-8,10,12,15,20H,9,11,13-14H2,1-2H3,(H,25,26).
What are the key properties of 8-fluoro-2-methyl-N-[3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]quinolin-4-amine?
8-fluoro-2-methyl-N-[3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]quinolin-4-amine has a molecular weight of 364.47 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-2-methyl-N-[3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]quinolin-4-amine is sourced from PubChem (CID 133393992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).