2-hydroxyethyl (E)-3-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)prop-2-enoate

C15H19NO3 — CID 75418643

IUPAC2-hydroxyethyl (E)-3-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)prop-2-enoate
SMILESCN1CCCc2cc(/C=C/C(=O)OCCO)ccc21
InChIInChI=1S/C15H19NO3/c1-16-8-2-3-13-11-12(4-6-14(13)16)5-7-15(18)19-10-9-17/h4-7,11,17H,2-3,8-10H2,1H3/b7-5+
InChIKeyLTQPJYPHLHPIQT-FNORWQNLSA-N
MW261.32 g/mol
LogP1.62
Rot. Bonds4

About 2-hydroxyethyl (E)-3-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)prop-2-enoate

2-hydroxyethyl (E)-3-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)prop-2-enoate (PubChem CID 75418643) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-hydroxyethyl (E)-3-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)prop-2-enoate.

Molecular Properties

Compound Name2-hydroxyethyl (E)-3-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)prop-2-enoate
PubChem CID75418643
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name2-hydroxyethyl (E)-3-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)prop-2-enoate
SMILESCN1CCCc2cc(/C=C/C(=O)OCCO)ccc21
InChIInChI=1S/C15H19NO3/c1-16-8-2-3-13-11-12(4-6-14(13)16)5-7-15(18)19-10-9-17/h4-7,11,17H,2-3,8-10H2,1H3/b7-5+
InChIKeyLTQPJYPHLHPIQT-FNORWQNLSA-N
XLogP1.62
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl (E)-3-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)prop-2-enoate?
The IUPAC name of 2-hydroxyethyl (E)-3-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)prop-2-enoate (CID 75418643) is 2-hydroxyethyl (E)-3-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)prop-2-enoate.
What is the SMILES notation for 2-hydroxyethyl (E)-3-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)prop-2-enoate?
The canonical SMILES for 2-hydroxyethyl (E)-3-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)prop-2-enoate is CN1CCCc2cc(/C=C/C(=O)OCCO)ccc21.
What is the InChIKey of 2-hydroxyethyl (E)-3-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)prop-2-enoate?
The InChIKey is LTQPJYPHLHPIQT-FNORWQNLSA-N. The full InChI is InChI=1S/C15H19NO3/c1-16-8-2-3-13-11-12(4-6-14(13)16)5-7-15(18)19-10-9-17/h4-7,11,17H,2-3,8-10H2,1H3/b7-5+.
What are the key properties of 2-hydroxyethyl (E)-3-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)prop-2-enoate?
2-hydroxyethyl (E)-3-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)prop-2-enoate has a molecular weight of 261.32 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl (E)-3-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)prop-2-enoate is sourced from PubChem (CID 75418643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).