(2S)-4-prop-2-enyl-2-[(1-prop-2-enyl-3,4-dihydro-2H-quinolin-8-yl)oxymethyl]morpholine

C20H28N2O2 — CID 70407977

IUPAC(2S)-4-prop-2-enyl-2-[(1-prop-2-enyl-3,4-dihydro-2H-quinolin-8-yl)oxymethyl]morpholine
SMILESC=CCN1CCO[C@H](COc2cccc3c2N(CC=C)CCC3)C1
InChIInChI=1S/C20H28N2O2/c1-3-10-21-13-14-23-18(15-21)16-24-19-9-5-7-17-8-6-12-22(11-4-2)20(17)19/h3-5,7,9,18H,1-2,6,8,10-16H2/t18-/m0/s1
InChIKeyPJMKMOFGWCRYEI-SFHVURJKSA-N
MW328.46 g/mol
LogP2.89
Rot. Bonds7

About (2S)-4-prop-2-enyl-2-[(1-prop-2-enyl-3,4-dihydro-2H-quinolin-8-yl)oxymethyl]morpholine

(2S)-4-prop-2-enyl-2-[(1-prop-2-enyl-3,4-dihydro-2H-quinolin-8-yl)oxymethyl]morpholine (PubChem CID 70407977) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is (2S)-4-prop-2-enyl-2-[(1-prop-2-enyl-3,4-dihydro-2H-quinolin-8-yl)oxymethyl]morpholine.

Molecular Properties

Compound Name(2S)-4-prop-2-enyl-2-[(1-prop-2-enyl-3,4-dihydro-2H-quinolin-8-yl)oxymethyl]morpholine
PubChem CID70407977
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC Name(2S)-4-prop-2-enyl-2-[(1-prop-2-enyl-3,4-dihydro-2H-quinolin-8-yl)oxymethyl]morpholine
SMILESC=CCN1CCO[C@H](COc2cccc3c2N(CC=C)CCC3)C1
InChIInChI=1S/C20H28N2O2/c1-3-10-21-13-14-23-18(15-21)16-24-19-9-5-7-17-8-6-12-22(11-4-2)20(17)19/h3-5,7,9,18H,1-2,6,8,10-16H2/t18-/m0/s1
InChIKeyPJMKMOFGWCRYEI-SFHVURJKSA-N
XLogP2.89
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Dabelotine
CID 177949
6-(3-(Piperidin-1-yl)propoxy)-1,2,3,4-tetrahydroquinoline
CID 9974962
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CID 10090854
1-(Cyclohexylmethyl)-6-(3-(piperidin-1-yl)propoxy)-1,2,3,4-tetrahydroquinoline
CID 10364005
4-(2-Piperidin-1-ylethyl)-7-propyl-1,4-benzoxazin-3-one
CID 59630032
8-Methoxy-1,2,3,4-tetrahydroquinoline
CID 5200345
1-[(2,3-Dimethoxyphenyl)methyl]-4-(2-ethoxyphenyl)piperazine
CID 1377098
1-Ethyl-8-(3-(piperidin-1-yl)propoxy)-1,2,3,4-tetrahydroquinoline
CID 44412697
1-(1-Benzyl-1,2,3,4-tetrahydroquinolin-6-yloxy)-3-isopropylaminopropan-2-ol
CID 44589133
4-[2-[4-(3,4-Dimethoxyphenyl)piperidin-1-yl]ethyl]-2,3-dihydro-1,4-benzoxazine
CID 53320143
1-[3-(2,3-Dimethylphenoxy)propyl]-4-(2-methoxyphenyl)piperazine;hydrochloride
CID 54598061
1-[2-(3-Methoxyphenyl)ethyl]-4-(2-propan-2-yloxyphenyl)piperazine
CID 134147055

Frequently Asked Questions

What is the IUPAC name of (2S)-4-prop-2-enyl-2-[(1-prop-2-enyl-3,4-dihydro-2H-quinolin-8-yl)oxymethyl]morpholine?
The IUPAC name of (2S)-4-prop-2-enyl-2-[(1-prop-2-enyl-3,4-dihydro-2H-quinolin-8-yl)oxymethyl]morpholine (CID 70407977) is (2S)-4-prop-2-enyl-2-[(1-prop-2-enyl-3,4-dihydro-2H-quinolin-8-yl)oxymethyl]morpholine.
What is the SMILES notation for (2S)-4-prop-2-enyl-2-[(1-prop-2-enyl-3,4-dihydro-2H-quinolin-8-yl)oxymethyl]morpholine?
The canonical SMILES for (2S)-4-prop-2-enyl-2-[(1-prop-2-enyl-3,4-dihydro-2H-quinolin-8-yl)oxymethyl]morpholine is C=CCN1CCO[C@H](COc2cccc3c2N(CC=C)CCC3)C1.
What is the InChIKey of (2S)-4-prop-2-enyl-2-[(1-prop-2-enyl-3,4-dihydro-2H-quinolin-8-yl)oxymethyl]morpholine?
The InChIKey is PJMKMOFGWCRYEI-SFHVURJKSA-N. The full InChI is InChI=1S/C20H28N2O2/c1-3-10-21-13-14-23-18(15-21)16-24-19-9-5-7-17-8-6-12-22(11-4-2)20(17)19/h3-5,7,9,18H,1-2,6,8,10-16H2/t18-/m0/s1.
What are the key properties of (2S)-4-prop-2-enyl-2-[(1-prop-2-enyl-3,4-dihydro-2H-quinolin-8-yl)oxymethyl]morpholine?
(2S)-4-prop-2-enyl-2-[(1-prop-2-enyl-3,4-dihydro-2H-quinolin-8-yl)oxymethyl]morpholine has a molecular weight of 328.46 g/mol, XLogP of 2.89, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-prop-2-enyl-2-[(1-prop-2-enyl-3,4-dihydro-2H-quinolin-8-yl)oxymethyl]morpholine is sourced from PubChem (CID 70407977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).