[2-[[6-(4-fluorophenoxy)-3-pyridinyl]methylamino]quinolin-4-yl]-morpholin-4-ylmethanone

C26H23FN4O3 — CID 55829912

IUPAC[2-[[6-(4-fluorophenoxy)-3-pyridinyl]methylamino]quinolin-4-yl]-morpholin-4-ylmethanone
SMILESO=C(c1cc(NCc2ccc(Oc3ccc(F)cc3)nc2)nc2ccccc12)N1CCOCC1
InChIInChI=1S/C26H23FN4O3/c27-19-6-8-20(9-7-19)34-25-10-5-18(17-29-25)16-28-24-15-22(21-3-1-2-4-23(21)30-24)26(32)31-11-13-33-14-12-31/h1-10,15,17H,11-14,16H2,(H,28,30)
InChIKeyZBIJRNRSQWORMA-UHFFFAOYSA-N
MW458.49 g/mol
LogP4.65
Rot. Bonds6

About [2-[[6-(4-fluorophenoxy)-3-pyridinyl]methylamino]quinolin-4-yl]-morpholin-4-ylmethanone

[2-[[6-(4-fluorophenoxy)-3-pyridinyl]methylamino]quinolin-4-yl]-morpholin-4-ylmethanone (PubChem CID 55829912) has the molecular formula C26H23FN4O3 and a molecular weight of 458.49 g/mol. Its IUPAC name is [2-[[6-(4-fluorophenoxy)-3-pyridinyl]methylamino]quinolin-4-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[2-[[6-(4-fluorophenoxy)-3-pyridinyl]methylamino]quinolin-4-yl]-morpholin-4-ylmethanone
PubChem CID55829912
Molecular FormulaC26H23FN4O3
Molecular Weight458.49 g/mol
Exact Mass458.18
IUPAC Name[2-[[6-(4-fluorophenoxy)-3-pyridinyl]methylamino]quinolin-4-yl]-morpholin-4-ylmethanone
SMILESO=C(c1cc(NCc2ccc(Oc3ccc(F)cc3)nc2)nc2ccccc12)N1CCOCC1
InChIInChI=1S/C26H23FN4O3/c27-19-6-8-20(9-7-19)34-25-10-5-18(17-29-25)16-28-24-15-22(21-3-1-2-4-23(21)30-24)26(32)31-11-13-33-14-12-31/h1-10,15,17H,11-14,16H2,(H,28,30)
InChIKeyZBIJRNRSQWORMA-UHFFFAOYSA-N
XLogP4.65
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.49
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-[[6-(4-fluorophenoxy)-3-pyridinyl]methylamino]quinolin-4-yl]-morpholin-4-ylmethanone with MolForge

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Related Compounds

[2-[(4-fluorophenyl)methylamino]quinolin-4-yl]-morpholin-4-ylmethanone
CID 8006719
[2-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethylamino]quinolin-4-yl]-morpholin-4-ylmethanone
CID 55680640
[2-(4-bromophenoxy)quinolin-4-yl]-morpholin-4-ylmethanone
CID 8002841
(2S)-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]-2-methylmorpholine-4-carboxamide
CID 94030864
[2-(methylamino)quinolin-4-yl]-(1,4-oxazepan-4-yl)methanone
CID 62968729
morpholin-4-yl-[2-[[(2R)-oxolan-2-yl]methylamino]quinolin-4-yl]methanone
CID 94476970
[2-[2-(cyclohexen-1-yl)ethylamino]quinolin-4-yl]-morpholin-4-ylmethanone
CID 75402193
N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]-4-(5-methylfuran-2-carbonyl)piperazine-1-carboxamide
CID 86879860
N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]-4-(furan-2-carbonyl)-N'-methylpiperazine-1-carboximidamide
CID 111168857
[2-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methylamino]quinolin-4-yl]-morpholin-4-ylmethanone
CID 60504469
[6-[(4-fluorophenyl)methylamino]pyrimidin-4-yl]-morpholin-4-ylmethanone
CID 109343536
[4-[(4-chlorophenyl)methylamino]quinolin-3-yl]-morpholin-4-ylmethanone
CID 53001489

Frequently Asked Questions

What is the IUPAC name of [2-[[6-(4-fluorophenoxy)-3-pyridinyl]methylamino]quinolin-4-yl]-morpholin-4-ylmethanone?
The IUPAC name of [2-[[6-(4-fluorophenoxy)-3-pyridinyl]methylamino]quinolin-4-yl]-morpholin-4-ylmethanone (CID 55829912) is [2-[[6-(4-fluorophenoxy)-3-pyridinyl]methylamino]quinolin-4-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [2-[[6-(4-fluorophenoxy)-3-pyridinyl]methylamino]quinolin-4-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [2-[[6-(4-fluorophenoxy)-3-pyridinyl]methylamino]quinolin-4-yl]-morpholin-4-ylmethanone is O=C(c1cc(NCc2ccc(Oc3ccc(F)cc3)nc2)nc2ccccc12)N1CCOCC1.
What is the InChIKey of [2-[[6-(4-fluorophenoxy)-3-pyridinyl]methylamino]quinolin-4-yl]-morpholin-4-ylmethanone?
The InChIKey is ZBIJRNRSQWORMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN4O3/c27-19-6-8-20(9-7-19)34-25-10-5-18(17-29-25)16-28-24-15-22(21-3-1-2-4-23(21)30-24)26(32)31-11-13-33-14-12-31/h1-10,15,17H,11-14,16H2,(H,28,30).
What are the key properties of [2-[[6-(4-fluorophenoxy)-3-pyridinyl]methylamino]quinolin-4-yl]-morpholin-4-ylmethanone?
[2-[[6-(4-fluorophenoxy)-3-pyridinyl]methylamino]quinolin-4-yl]-morpholin-4-ylmethanone has a molecular weight of 458.49 g/mol, XLogP of 4.65, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[6-(4-fluorophenoxy)-3-pyridinyl]methylamino]quinolin-4-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 55829912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).