[2-[(4-fluorophenyl)methylamino]quinolin-4-yl]-morpholin-4-ylmethanone

C21H20FN3O2 — CID 8006719

IUPAC[2-[(4-fluorophenyl)methylamino]quinolin-4-yl]-morpholin-4-ylmethanone
SMILESO=C(c1cc(NCc2ccc(F)cc2)nc2ccccc12)N1CCOCC1
InChIInChI=1S/C21H20FN3O2/c22-16-7-5-15(6-8-16)14-23-20-13-18(17-3-1-2-4-19(17)24-20)21(26)25-9-11-27-12-10-25/h1-8,13H,9-12,14H2,(H,23,24)
InChIKeySNNDKHFVKMYNHX-UHFFFAOYSA-N
MW365.41 g/mol
LogP3.46
Rot. Bonds4

About [2-[(4-fluorophenyl)methylamino]quinolin-4-yl]-morpholin-4-ylmethanone

[2-[(4-fluorophenyl)methylamino]quinolin-4-yl]-morpholin-4-ylmethanone (PubChem CID 8006719) has the molecular formula C21H20FN3O2 and a molecular weight of 365.41 g/mol. Its IUPAC name is [2-[(4-fluorophenyl)methylamino]quinolin-4-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[2-[(4-fluorophenyl)methylamino]quinolin-4-yl]-morpholin-4-ylmethanone
PubChem CID8006719
Molecular FormulaC21H20FN3O2
Molecular Weight365.41 g/mol
Exact Mass365.15
IUPAC Name[2-[(4-fluorophenyl)methylamino]quinolin-4-yl]-morpholin-4-ylmethanone
SMILESO=C(c1cc(NCc2ccc(F)cc2)nc2ccccc12)N1CCOCC1
InChIInChI=1S/C21H20FN3O2/c22-16-7-5-15(6-8-16)14-23-20-13-18(17-3-1-2-4-19(17)24-20)21(26)25-9-11-27-12-10-25/h1-8,13H,9-12,14H2,(H,23,24)
InChIKeySNNDKHFVKMYNHX-UHFFFAOYSA-N
XLogP3.46
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[[6-(4-fluorophenoxy)-3-pyridinyl]methylamino]quinolin-4-yl]-morpholin-4-ylmethanone
CID 55829912
[2-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethylamino]quinolin-4-yl]-morpholin-4-ylmethanone
CID 55680640
[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
[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
(2-aminoquinolin-4-yl)-(1,4-oxazepan-4-yl)methanone
CID 62967322
[2-(methylamino)quinolin-4-yl]-pyrrolidin-1-ylmethanone
CID 62170916
1-[4-[4-(morpholine-4-carbonyl)quinolin-2-yl]phenyl]propan-2-one;oxane;2-[4-(2-oxopropyl)phenyl]quinoline-4-carboxylic acid
CID 157235654
[2-(3-chlorophenyl)quinolin-4-yl]-morpholin-4-ylmethanone
CID 1261463

Frequently Asked Questions

What is the IUPAC name of [2-[(4-fluorophenyl)methylamino]quinolin-4-yl]-morpholin-4-ylmethanone?
The IUPAC name of [2-[(4-fluorophenyl)methylamino]quinolin-4-yl]-morpholin-4-ylmethanone (CID 8006719) is [2-[(4-fluorophenyl)methylamino]quinolin-4-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [2-[(4-fluorophenyl)methylamino]quinolin-4-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [2-[(4-fluorophenyl)methylamino]quinolin-4-yl]-morpholin-4-ylmethanone is O=C(c1cc(NCc2ccc(F)cc2)nc2ccccc12)N1CCOCC1.
What is the InChIKey of [2-[(4-fluorophenyl)methylamino]quinolin-4-yl]-morpholin-4-ylmethanone?
The InChIKey is SNNDKHFVKMYNHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O2/c22-16-7-5-15(6-8-16)14-23-20-13-18(17-3-1-2-4-19(17)24-20)21(26)25-9-11-27-12-10-25/h1-8,13H,9-12,14H2,(H,23,24).
What are the key properties of [2-[(4-fluorophenyl)methylamino]quinolin-4-yl]-morpholin-4-ylmethanone?
[2-[(4-fluorophenyl)methylamino]quinolin-4-yl]-morpholin-4-ylmethanone has a molecular weight of 365.41 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-fluorophenyl)methylamino]quinolin-4-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 8006719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).