4-[[2-(ethylamino)quinolin-3-yl]methyl]morpholin-3-one

C16H19N3O2 — CID 79468874

IUPAC4-[[2-(ethylamino)quinolin-3-yl]methyl]morpholin-3-one
SMILESCCNc1nc2ccccc2cc1CN1CCOCC1=O
InChIInChI=1S/C16H19N3O2/c1-2-17-16-13(10-19-7-8-21-11-15(19)20)9-12-5-3-4-6-14(12)18-16/h3-6,9H,2,7-8,10-11H2,1H3,(H,17,18)
InChIKeyKEPGQCXCMRSKAO-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.03
Rot. Bonds4

About 4-[[2-(ethylamino)quinolin-3-yl]methyl]morpholin-3-one

4-[[2-(ethylamino)quinolin-3-yl]methyl]morpholin-3-one (PubChem CID 79468874) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 4-[[2-(ethylamino)quinolin-3-yl]methyl]morpholin-3-one.

Molecular Properties

Compound Name4-[[2-(ethylamino)quinolin-3-yl]methyl]morpholin-3-one
PubChem CID79468874
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name4-[[2-(ethylamino)quinolin-3-yl]methyl]morpholin-3-one
SMILESCCNc1nc2ccccc2cc1CN1CCOCC1=O
InChIInChI=1S/C16H19N3O2/c1-2-17-16-13(10-19-7-8-21-11-15(19)20)9-12-5-3-4-6-14(12)18-16/h3-6,9H,2,7-8,10-11H2,1H3,(H,17,18)
InChIKeyKEPGQCXCMRSKAO-UHFFFAOYSA-N
XLogP2.03
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(ethylamino)quinolin-3-yl]methyl]morpholin-3-one?
The IUPAC name of 4-[[2-(ethylamino)quinolin-3-yl]methyl]morpholin-3-one (CID 79468874) is 4-[[2-(ethylamino)quinolin-3-yl]methyl]morpholin-3-one.
What is the SMILES notation for 4-[[2-(ethylamino)quinolin-3-yl]methyl]morpholin-3-one?
The canonical SMILES for 4-[[2-(ethylamino)quinolin-3-yl]methyl]morpholin-3-one is CCNc1nc2ccccc2cc1CN1CCOCC1=O.
What is the InChIKey of 4-[[2-(ethylamino)quinolin-3-yl]methyl]morpholin-3-one?
The InChIKey is KEPGQCXCMRSKAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-2-17-16-13(10-19-7-8-21-11-15(19)20)9-12-5-3-4-6-14(12)18-16/h3-6,9H,2,7-8,10-11H2,1H3,(H,17,18).
What are the key properties of 4-[[2-(ethylamino)quinolin-3-yl]methyl]morpholin-3-one?
4-[[2-(ethylamino)quinolin-3-yl]methyl]morpholin-3-one has a molecular weight of 285.35 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(ethylamino)quinolin-3-yl]methyl]morpholin-3-one is sourced from PubChem (CID 79468874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).