[2-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethylamino]quinolin-4-yl]-morpholin-4-ylmethanone

C26H30FN5O2 — CID 55680640

IUPAC[2-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethylamino]quinolin-4-yl]-morpholin-4-ylmethanone
SMILESO=C(c1cc(NCCN2CCN(c3ccc(F)cc3)CC2)nc2ccccc12)N1CCOCC1
InChIInChI=1S/C26H30FN5O2/c27-20-5-7-21(8-6-20)31-13-11-30(12-14-31)10-9-28-25-19-23(22-3-1-2-4-24(22)29-25)26(33)32-15-17-34-18-16-32/h1-8,19H,9-18H2,(H,28,29)
InChIKeyKACJZOWQKYLQBJ-UHFFFAOYSA-N
MW463.56 g/mol
LogP3.08
Rot. Bonds6

About [2-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethylamino]quinolin-4-yl]-morpholin-4-ylmethanone

[2-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethylamino]quinolin-4-yl]-morpholin-4-ylmethanone (PubChem CID 55680640) has the molecular formula C26H30FN5O2 and a molecular weight of 463.56 g/mol. Its IUPAC name is [2-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethylamino]quinolin-4-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[2-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethylamino]quinolin-4-yl]-morpholin-4-ylmethanone
PubChem CID55680640
Molecular FormulaC26H30FN5O2
Molecular Weight463.56 g/mol
Exact Mass463.24
IUPAC Name[2-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethylamino]quinolin-4-yl]-morpholin-4-ylmethanone
SMILESO=C(c1cc(NCCN2CCN(c3ccc(F)cc3)CC2)nc2ccccc12)N1CCOCC1
InChIInChI=1S/C26H30FN5O2/c27-20-5-7-21(8-6-20)31-13-11-30(12-14-31)10-9-28-25-19-23(22-3-1-2-4-24(22)29-25)26(33)32-15-17-34-18-16-32/h1-8,19H,9-18H2,(H,28,29)
InChIKeyKACJZOWQKYLQBJ-UHFFFAOYSA-N
XLogP3.08
TPSA60.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.56
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethylamino]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-(cyclohexen-1-yl)ethylamino]quinolin-4-yl]-morpholin-4-ylmethanone
CID 75402193
[2-[[6-(4-fluorophenoxy)-3-pyridinyl]methylamino]quinolin-4-yl]-morpholin-4-ylmethanone
CID 55829912
[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
[4-(4-fluorophenyl)piperazin-1-yl]-[2-(5-methylthiophen-2-yl)quinolin-4-yl]methanone
CID 1022891
[2-(2-morpholin-4-ylethylamino)-4-pyridinyl]-(4-phenylpiperazin-1-yl)methanone
CID 109168056
6-fluoro-N-(2-morpholin-4-ylethyl)-2-(3-morpholin-4-ylpropylamino)quinoline-4-carboxamide
CID 162651076
2-(ethylamino)-N-(4-morpholin-4-ylphenyl)quinoline-4-carboxamide
CID 117089575
2-[4-[4-(morpholine-4-carbonyl)quinolin-2-yl]piperazin-1-yl]-1-piperidin-1-ylethanone
CID 55448995
[2-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methylamino]quinolin-4-yl]-morpholin-4-ylmethanone
CID 60504469
[2-(3-bromophenyl)quinolin-4-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 4554778

Frequently Asked Questions

What is the IUPAC name of [2-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethylamino]quinolin-4-yl]-morpholin-4-ylmethanone?
The IUPAC name of [2-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethylamino]quinolin-4-yl]-morpholin-4-ylmethanone (CID 55680640) is [2-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethylamino]quinolin-4-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [2-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethylamino]quinolin-4-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [2-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethylamino]quinolin-4-yl]-morpholin-4-ylmethanone is O=C(c1cc(NCCN2CCN(c3ccc(F)cc3)CC2)nc2ccccc12)N1CCOCC1.
What is the InChIKey of [2-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethylamino]quinolin-4-yl]-morpholin-4-ylmethanone?
The InChIKey is KACJZOWQKYLQBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30FN5O2/c27-20-5-7-21(8-6-20)31-13-11-30(12-14-31)10-9-28-25-19-23(22-3-1-2-4-24(22)29-25)26(33)32-15-17-34-18-16-32/h1-8,19H,9-18H2,(H,28,29).
What are the key properties of [2-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethylamino]quinolin-4-yl]-morpholin-4-ylmethanone?
[2-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethylamino]quinolin-4-yl]-morpholin-4-ylmethanone has a molecular weight of 463.56 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethylamino]quinolin-4-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 55680640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).