[(1R)-1-quinolin-3-ylethyl] 2-morpholin-4-ylacetate

C17H20N2O3 — CID 97308909

IUPAC[(1R)-1-quinolin-3-ylethyl] 2-morpholin-4-ylacetate
SMILESC[C@@H](OC(=O)CN1CCOCC1)c1cnc2ccccc2c1
InChIInChI=1S/C17H20N2O3/c1-13(22-17(20)12-19-6-8-21-9-7-19)15-10-14-4-2-3-5-16(14)18-11-15/h2-5,10-11,13H,6-9,12H2,1H3/t13-/m1/s1
InChIKeyVOOQGHFEENWWPD-CYBMUJFWSA-N
MW300.36 g/mol
LogP2.17
Rot. Bonds4

About [(1R)-1-quinolin-3-ylethyl] 2-morpholin-4-ylacetate

[(1R)-1-quinolin-3-ylethyl] 2-morpholin-4-ylacetate (PubChem CID 97308909) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is [(1R)-1-quinolin-3-ylethyl] 2-morpholin-4-ylacetate.

Molecular Properties

Compound Name[(1R)-1-quinolin-3-ylethyl] 2-morpholin-4-ylacetate
PubChem CID97308909
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name[(1R)-1-quinolin-3-ylethyl] 2-morpholin-4-ylacetate
SMILESC[C@@H](OC(=O)CN1CCOCC1)c1cnc2ccccc2c1
InChIInChI=1S/C17H20N2O3/c1-13(22-17(20)12-19-6-8-21-9-7-19)15-10-14-4-2-3-5-16(14)18-11-15/h2-5,10-11,13H,6-9,12H2,1H3/t13-/m1/s1
InChIKeyVOOQGHFEENWWPD-CYBMUJFWSA-N
XLogP2.17
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-quinolin-3-ylethyl 2-(2-fluorophenyl)-2-morpholin-4-ylacetate
CID 75452256
1-quinolin-3-ylethyl 2-[3-(difluoromethyl)phenyl]acetate
CID 119036819
1-quinolin-3-ylethyl 2-(1-methyltetrazol-5-yl)sulfanylacetate
CID 75441902
ethane;N-methyl-2-morpholin-4-ylethanamine;3-propan-2-ylquinoline
CID 144672384
[(1S)-1-quinolin-3-ylethyl] (2S)-1-benzylpyrrolidine-2-carboxylate
CID 97088245
2-morpholin-4-yl-N-[(1R)-1-naphthalen-2-ylethyl]acetamide
CID 8903869
ethyl (3S)-3-amino-3-quinolin-3-ylpropanoate
CID 34177500
N-methyl-2-morpholin-4-yl-N-[1-(quinoline-3-carbonyl)piperidin-3-yl]acetamide
CID 138007240
4-[2-(quinolin-3-ylmethoxy)ethyl]morpholine
CID 59259721
phenanthren-3-yl 2-morpholin-4-ylacetate
CID 150233502
3-(4-chloropentan-2-yl)quinoline
CID 64721460
morpholin-4-yl-[4-(3-quinolin-3-ylpropyl)piperazin-1-yl]methanone
CID 24733895

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-quinolin-3-ylethyl] 2-morpholin-4-ylacetate?
The IUPAC name of [(1R)-1-quinolin-3-ylethyl] 2-morpholin-4-ylacetate (CID 97308909) is [(1R)-1-quinolin-3-ylethyl] 2-morpholin-4-ylacetate.
What is the SMILES notation for [(1R)-1-quinolin-3-ylethyl] 2-morpholin-4-ylacetate?
The canonical SMILES for [(1R)-1-quinolin-3-ylethyl] 2-morpholin-4-ylacetate is C[C@@H](OC(=O)CN1CCOCC1)c1cnc2ccccc2c1.
What is the InChIKey of [(1R)-1-quinolin-3-ylethyl] 2-morpholin-4-ylacetate?
The InChIKey is VOOQGHFEENWWPD-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-13(22-17(20)12-19-6-8-21-9-7-19)15-10-14-4-2-3-5-16(14)18-11-15/h2-5,10-11,13H,6-9,12H2,1H3/t13-/m1/s1.
What are the key properties of [(1R)-1-quinolin-3-ylethyl] 2-morpholin-4-ylacetate?
[(1R)-1-quinolin-3-ylethyl] 2-morpholin-4-ylacetate has a molecular weight of 300.36 g/mol, XLogP of 2.17, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-quinolin-3-ylethyl] 2-morpholin-4-ylacetate is sourced from PubChem (CID 97308909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).