3-(8-phenylmethoxyquinolin-2-yl)prop-2-enoic acid

C19H15NO3 — CID 68678166

IUPAC3-(8-phenylmethoxyquinolin-2-yl)prop-2-enoic acid
SMILESO=C(O)C=Cc1ccc2cccc(OCc3ccccc3)c2n1
InChIInChI=1S/C19H15NO3/c21-18(22)12-11-16-10-9-15-7-4-8-17(19(15)20-16)23-13-14-5-2-1-3-6-14/h1-12H,13H2,(H,21,22)
InChIKeyDDMYHBFPZHARBE-UHFFFAOYSA-N
MW305.33 g/mol
LogP3.91
Rot. Bonds5

About 3-(8-phenylmethoxyquinolin-2-yl)prop-2-enoic acid

3-(8-phenylmethoxyquinolin-2-yl)prop-2-enoic acid (PubChem CID 68678166) has the molecular formula C19H15NO3 and a molecular weight of 305.33 g/mol. Its IUPAC name is 3-(8-phenylmethoxyquinolin-2-yl)prop-2-enoic acid.

Molecular Properties

Compound Name3-(8-phenylmethoxyquinolin-2-yl)prop-2-enoic acid
PubChem CID68678166
Molecular FormulaC19H15NO3
Molecular Weight305.33 g/mol
Exact Mass305.11
IUPAC Name3-(8-phenylmethoxyquinolin-2-yl)prop-2-enoic acid
SMILESO=C(O)C=Cc1ccc2cccc(OCc3ccccc3)c2n1
InChIInChI=1S/C19H15NO3/c21-18(22)12-11-16-10-9-15-7-4-8-17(19(15)20-16)23-13-14-5-2-1-3-6-14/h1-12H,13H2,(H,21,22)
InChIKeyDDMYHBFPZHARBE-UHFFFAOYSA-N
XLogP3.91
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-[2-[(Z)-2-(8-phenylmethoxyquinolin-2-yl)ethenyl]phenoxy]acetate
CID 93012870
[2-methoxy-5-[2-(8-phenylmethoxyquinolin-2-yl)ethenyl]phenyl] acetate
CID 5055101
3-(5-phenylmethoxy-2-pyridinyl)prop-2-enoic acid
CID 79800407
(E)-3-(5-phenylmethoxy-2-pyridinyl)prop-2-enoic acid
CID 129315372
2-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]-8-phenylmethoxyquinoline
CID 11839791
2-[2-(1,3-benzodioxol-5-yl)ethenyl]-8-phenylmethoxyquinoline
CID 2895452
(E)-3-[2-[(E)-2-(2-phenylmethoxyphenyl)ethenyl]phenyl]prop-2-enoic acid
CID 11210487
3-[2-(pyridin-4-ylmethoxy)phenyl]prop-2-enoic acid
CID 53405811
2-chloro-8-phenylmethoxyquinoline;1H-quinolin-2-one
CID 160714848
(E)-3-(4-hydroxy-3-phenylmethoxyphenyl)prop-2-enoic acid
CID 89404903
3-[4-[(2-fluorophenoxy)methyl]phenyl]prop-2-enoic acid
CID 76908430
3-[2-[(3-fluorophenyl)methoxy]phenyl]prop-2-enoic acid
CID 5116496

Frequently Asked Questions

What is the IUPAC name of 3-(8-phenylmethoxyquinolin-2-yl)prop-2-enoic acid?
The IUPAC name of 3-(8-phenylmethoxyquinolin-2-yl)prop-2-enoic acid (CID 68678166) is 3-(8-phenylmethoxyquinolin-2-yl)prop-2-enoic acid.
What is the SMILES notation for 3-(8-phenylmethoxyquinolin-2-yl)prop-2-enoic acid?
The canonical SMILES for 3-(8-phenylmethoxyquinolin-2-yl)prop-2-enoic acid is O=C(O)C=Cc1ccc2cccc(OCc3ccccc3)c2n1.
What is the InChIKey of 3-(8-phenylmethoxyquinolin-2-yl)prop-2-enoic acid?
The InChIKey is DDMYHBFPZHARBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO3/c21-18(22)12-11-16-10-9-15-7-4-8-17(19(15)20-16)23-13-14-5-2-1-3-6-14/h1-12H,13H2,(H,21,22).
What are the key properties of 3-(8-phenylmethoxyquinolin-2-yl)prop-2-enoic acid?
3-(8-phenylmethoxyquinolin-2-yl)prop-2-enoic acid has a molecular weight of 305.33 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(8-phenylmethoxyquinolin-2-yl)prop-2-enoic acid is sourced from PubChem (CID 68678166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).