2-hydroxyethyl (2R)-2-(1-quinolin-2-ylethylideneamino)butanoate

C17H20N2O3 — CID 89269438

IUPAC2-hydroxyethyl (2R)-2-(1-quinolin-2-ylethylideneamino)butanoate
SMILESCC[C@@H](/N=C(\C)c1ccc2ccccc2n1)C(=O)OCCO
InChIInChI=1S/C17H20N2O3/c1-3-14(17(21)22-11-10-20)18-12(2)15-9-8-13-6-4-5-7-16(13)19-15/h4-9,14,20H,3,10-11H2,1-2H3/b18-12+/t14-/m1/s1
InChIKeyLIHZQLIWXMAMHG-CRRKTRLDSA-N
MW300.36 g/mol
LogP2.36
Rot. Bonds6

About 2-hydroxyethyl (2R)-2-(1-quinolin-2-ylethylideneamino)butanoate

2-hydroxyethyl (2R)-2-(1-quinolin-2-ylethylideneamino)butanoate (PubChem CID 89269438) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is 2-hydroxyethyl (2R)-2-(1-quinolin-2-ylethylideneamino)butanoate.

Molecular Properties

Compound Name2-hydroxyethyl (2R)-2-(1-quinolin-2-ylethylideneamino)butanoate
PubChem CID89269438
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name2-hydroxyethyl (2R)-2-(1-quinolin-2-ylethylideneamino)butanoate
SMILESCC[C@@H](/N=C(\C)c1ccc2ccccc2n1)C(=O)OCCO
InChIInChI=1S/C17H20N2O3/c1-3-14(17(21)22-11-10-20)18-12(2)15-9-8-13-6-4-5-7-16(13)19-15/h4-9,14,20H,3,10-11H2,1-2H3/b18-12+/t14-/m1/s1
InChIKeyLIHZQLIWXMAMHG-CRRKTRLDSA-N
XLogP2.36
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-ethylbutanoyl quinoline-2-carboxylate
CID 18335639
N-(2-methoxyethoxy)quinoline-2-carboxamide
CID 79676009
N-[2-(2-hydroxyethoxy)ethyl]quinoline-2-carboxamide
CID 60670699
(E)-1-quinolin-2-yl-N-[2-[[(E)-1-quinolin-2-ylethylideneamino]oxymethyl]prop-2-enoxy]ethanimine
CID 25265136
[2-oxo-2-(pentan-3-ylamino)ethyl] quinoline-2-carboxylate
CID 2693091
N-(2-chlorobutyl)quinoline-2-carboxamide
CID 113492870
1-quinolin-2-ylbutan-1-one
CID 14895778
N-(2-phenylbutyl)quinoline-2-carboxamide
CID 46635493
2-amino-1-quinolin-2-ylethanone
CID 23532024
2-quinolin-2-yloxyethanol
CID 19898678
2-methylquinoline;quinoline-2-carboxamide
CID 174829911
3-methyl-2-(quinoline-2-carbonylamino)pentanoic acid
CID 16795877

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl (2R)-2-(1-quinolin-2-ylethylideneamino)butanoate?
The IUPAC name of 2-hydroxyethyl (2R)-2-(1-quinolin-2-ylethylideneamino)butanoate (CID 89269438) is 2-hydroxyethyl (2R)-2-(1-quinolin-2-ylethylideneamino)butanoate.
What is the SMILES notation for 2-hydroxyethyl (2R)-2-(1-quinolin-2-ylethylideneamino)butanoate?
The canonical SMILES for 2-hydroxyethyl (2R)-2-(1-quinolin-2-ylethylideneamino)butanoate is CC[C@@H](/N=C(\C)c1ccc2ccccc2n1)C(=O)OCCO.
What is the InChIKey of 2-hydroxyethyl (2R)-2-(1-quinolin-2-ylethylideneamino)butanoate?
The InChIKey is LIHZQLIWXMAMHG-CRRKTRLDSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-3-14(17(21)22-11-10-20)18-12(2)15-9-8-13-6-4-5-7-16(13)19-15/h4-9,14,20H,3,10-11H2,1-2H3/b18-12+/t14-/m1/s1.
What are the key properties of 2-hydroxyethyl (2R)-2-(1-quinolin-2-ylethylideneamino)butanoate?
2-hydroxyethyl (2R)-2-(1-quinolin-2-ylethylideneamino)butanoate has a molecular weight of 300.36 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl (2R)-2-(1-quinolin-2-ylethylideneamino)butanoate is sourced from PubChem (CID 89269438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).