[(2S)-2-[(3-fluorophenyl)methyl]morpholin-4-yl]-quinolin-6-ylmethanone

C21H19FN2O2 — CID 26412431

IUPAC[(2S)-2-[(3-fluorophenyl)methyl]morpholin-4-yl]-quinolin-6-ylmethanone
SMILESO=C(c1ccc2ncccc2c1)N1CCO[C@@H](Cc2cccc(F)c2)C1
InChIInChI=1S/C21H19FN2O2/c22-18-5-1-3-15(11-18)12-19-14-24(9-10-26-19)21(25)17-6-7-20-16(13-17)4-2-8-23-20/h1-8,11,13,19H,9-10,12,14H2/t19-/m0/s1
InChIKeyGLFTZXKKMWUEHG-IBGZPJMESA-N
MW350.39 g/mol
LogP3.46
Rot. Bonds3

About [(2S)-2-[(3-fluorophenyl)methyl]morpholin-4-yl]-quinolin-6-ylmethanone

[(2S)-2-[(3-fluorophenyl)methyl]morpholin-4-yl]-quinolin-6-ylmethanone (PubChem CID 26412431) has the molecular formula C21H19FN2O2 and a molecular weight of 350.39 g/mol. Its IUPAC name is [(2S)-2-[(3-fluorophenyl)methyl]morpholin-4-yl]-quinolin-6-ylmethanone.

Molecular Properties

Compound Name[(2S)-2-[(3-fluorophenyl)methyl]morpholin-4-yl]-quinolin-6-ylmethanone
PubChem CID26412431
Molecular FormulaC21H19FN2O2
Molecular Weight350.39 g/mol
Exact Mass350.14
IUPAC Name[(2S)-2-[(3-fluorophenyl)methyl]morpholin-4-yl]-quinolin-6-ylmethanone
SMILESO=C(c1ccc2ncccc2c1)N1CCO[C@@H](Cc2cccc(F)c2)C1
InChIInChI=1S/C21H19FN2O2/c22-18-5-1-3-15(11-18)12-19-14-24(9-10-26-19)21(25)17-6-7-20-16(13-17)4-2-8-23-20/h1-8,11,13,19H,9-10,12,14H2/t19-/m0/s1
InChIKeyGLFTZXKKMWUEHG-IBGZPJMESA-N
XLogP3.46
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.39
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-Morpholin-4-ylphenyl)-6-quinolin-4-yl-quinazolin-4-one
CID 133107911
N,N-diethyl-4-[[1-[(4-fluorophenyl)methyl]piperidin-4-ylidene]-quinolin-8-ylmethyl]benzamide
CID 57398678
N-[4-(4-phenylpiperazin-1-yl)butyl]quinoline-6-carboxamide
CID 24769156
[(4S,4aR,8aS)-4-hydroxy-4-phenyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-1-yl]-quinolin-6-ylmethanone
CID 54581223
[6-Methyl-2-(4-methylphenyl)quinolin-4-yl]-morpholin-4-ylmethanone
CID 698716
(2,6-Dimethylmorpholin-4-yl)-(6-methyl-2-phenylquinolin-4-yl)methanone
CID 24980586
3-Ethyl-6-[(4-methoxycyclohexyl)carbonyl]quinoline
CID 11220222
2,6,8-Trimethyl-N-[4-(morpholine-4-carbonyl)phenyl]quinolin-4-amine
CID 1150841
N-[2-(4-fluorophenyl)ethyl]-6-methyl-2-(pyridin-2-yl)quinoline-4-carboxamide
CID 1257137
N-[2-(4-fluorophenyl)ethyl]-6-methyl-2-(4-pyridinyl)-4-quinolinecarboxamide
CID 1261661
N-[1-[[(2R)-1-(3-morpholin-4-ylpropylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl]cyclopentyl]quinoline-6-carboxamide
CID 23625786
(2,6-Dimethylmorpholin-4-yl)-(2-pyridin-4-ylquinolin-4-yl)methanone
CID 25163404

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-[(3-fluorophenyl)methyl]morpholin-4-yl]-quinolin-6-ylmethanone?
The IUPAC name of [(2S)-2-[(3-fluorophenyl)methyl]morpholin-4-yl]-quinolin-6-ylmethanone (CID 26412431) is [(2S)-2-[(3-fluorophenyl)methyl]morpholin-4-yl]-quinolin-6-ylmethanone.
What is the SMILES notation for [(2S)-2-[(3-fluorophenyl)methyl]morpholin-4-yl]-quinolin-6-ylmethanone?
The canonical SMILES for [(2S)-2-[(3-fluorophenyl)methyl]morpholin-4-yl]-quinolin-6-ylmethanone is O=C(c1ccc2ncccc2c1)N1CCO[C@@H](Cc2cccc(F)c2)C1.
What is the InChIKey of [(2S)-2-[(3-fluorophenyl)methyl]morpholin-4-yl]-quinolin-6-ylmethanone?
The InChIKey is GLFTZXKKMWUEHG-IBGZPJMESA-N. The full InChI is InChI=1S/C21H19FN2O2/c22-18-5-1-3-15(11-18)12-19-14-24(9-10-26-19)21(25)17-6-7-20-16(13-17)4-2-8-23-20/h1-8,11,13,19H,9-10,12,14H2/t19-/m0/s1.
What are the key properties of [(2S)-2-[(3-fluorophenyl)methyl]morpholin-4-yl]-quinolin-6-ylmethanone?
[(2S)-2-[(3-fluorophenyl)methyl]morpholin-4-yl]-quinolin-6-ylmethanone has a molecular weight of 350.39 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-[(3-fluorophenyl)methyl]morpholin-4-yl]-quinolin-6-ylmethanone is sourced from PubChem (CID 26412431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).