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

C22H27N3O2 — CID 75402193

IUPAC[2-[2-(cyclohexen-1-yl)ethylamino]quinolin-4-yl]-morpholin-4-ylmethanone
SMILESO=C(c1cc(NCCC2=CCCCC2)nc2ccccc12)N1CCOCC1
InChIInChI=1S/C22H27N3O2/c26-22(25-12-14-27-15-13-25)19-16-21(24-20-9-5-4-8-18(19)20)23-11-10-17-6-2-1-3-7-17/h4-6,8-9,16H,1-3,7,10-15H2,(H,23,24)
InChIKeyUEJFMRHQBBMSLX-UHFFFAOYSA-N
MW365.48 g/mol
LogP4.01
Rot. Bonds5

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

[2-[2-(cyclohexen-1-yl)ethylamino]quinolin-4-yl]-morpholin-4-ylmethanone (PubChem CID 75402193) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is [2-[2-(cyclohexen-1-yl)ethylamino]quinolin-4-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[2-[2-(cyclohexen-1-yl)ethylamino]quinolin-4-yl]-morpholin-4-ylmethanone
PubChem CID75402193
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Name[2-[2-(cyclohexen-1-yl)ethylamino]quinolin-4-yl]-morpholin-4-ylmethanone
SMILESO=C(c1cc(NCCC2=CCCCC2)nc2ccccc12)N1CCOCC1
InChIInChI=1S/C22H27N3O2/c26-22(25-12-14-27-15-13-25)19-16-21(24-20-9-5-4-8-18(19)20)23-11-10-17-6-2-1-3-7-17/h4-6,8-9,16H,1-3,7,10-15H2,(H,23,24)
InChIKeyUEJFMRHQBBMSLX-UHFFFAOYSA-N
XLogP4.01
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[2-[(4-fluorophenyl)methylamino]quinolin-4-yl]-morpholin-4-ylmethanone
CID 8006719
[2-(methylamino)quinolin-4-yl]-(1,4-oxazepan-4-yl)methanone
CID 62968729
[2-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethylamino]quinolin-4-yl]-morpholin-4-ylmethanone
CID 55680640
morpholin-4-yl-[2-[[(2R)-oxolan-2-yl]methylamino]quinolin-4-yl]methanone
CID 94476970
[5-[2-(cyclohexen-1-yl)ethylamino]pyrazin-2-yl]-morpholin-4-ylmethanone
CID 109275511
N-[2-(cyclohexen-1-yl)ethyl]-6-(2-methylquinoline-4-carbonyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 45198979
[2-[2-(cyclohexen-1-yl)ethylamino]pyrimidin-5-yl]-morpholin-4-ylmethanone
CID 109251157
N-[2-(cyclohexen-1-yl)ethyl]quinolin-2-amine
CID 23799237
[2-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methylamino]quinolin-4-yl]-morpholin-4-ylmethanone
CID 60504469
(2-aminoquinolin-4-yl)-(1,4-oxazepan-4-yl)methanone
CID 62967322
2-[2-(cyclopenten-1-yl)ethylamino]quinoline-4-carbonitrile
CID 103844235
[2-(methylamino)quinolin-4-yl]-pyrrolidin-1-ylmethanone
CID 62170916

Frequently Asked Questions

What is the IUPAC name of [2-[2-(cyclohexen-1-yl)ethylamino]quinolin-4-yl]-morpholin-4-ylmethanone?
The IUPAC name of [2-[2-(cyclohexen-1-yl)ethylamino]quinolin-4-yl]-morpholin-4-ylmethanone (CID 75402193) is [2-[2-(cyclohexen-1-yl)ethylamino]quinolin-4-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [2-[2-(cyclohexen-1-yl)ethylamino]quinolin-4-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [2-[2-(cyclohexen-1-yl)ethylamino]quinolin-4-yl]-morpholin-4-ylmethanone is O=C(c1cc(NCCC2=CCCCC2)nc2ccccc12)N1CCOCC1.
What is the InChIKey of [2-[2-(cyclohexen-1-yl)ethylamino]quinolin-4-yl]-morpholin-4-ylmethanone?
The InChIKey is UEJFMRHQBBMSLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c26-22(25-12-14-27-15-13-25)19-16-21(24-20-9-5-4-8-18(19)20)23-11-10-17-6-2-1-3-7-17/h4-6,8-9,16H,1-3,7,10-15H2,(H,23,24).
What are the key properties of [2-[2-(cyclohexen-1-yl)ethylamino]quinolin-4-yl]-morpholin-4-ylmethanone?
[2-[2-(cyclohexen-1-yl)ethylamino]quinolin-4-yl]-morpholin-4-ylmethanone has a molecular weight of 365.48 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(cyclohexen-1-yl)ethylamino]quinolin-4-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 75402193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).