3-(6-methoxyquinolin-2-yl)prop-2-enoic acid

C13H11NO3 — CID 68678260

IUPAC3-(6-methoxyquinolin-2-yl)prop-2-enoic acid
SMILESCOc1ccc2nc(C=CC(=O)O)ccc2c1
InChIInChI=1S/C13H11NO3/c1-17-11-5-6-12-9(8-11)2-3-10(14-12)4-7-13(15)16/h2-8H,1H3,(H,15,16)
InChIKeyLVAYDTFYVYPVTR-UHFFFAOYSA-N
MW229.23 g/mol
LogP2.34
Rot. Bonds3

About 3-(6-methoxyquinolin-2-yl)prop-2-enoic acid

3-(6-methoxyquinolin-2-yl)prop-2-enoic acid (PubChem CID 68678260) has the molecular formula C13H11NO3 and a molecular weight of 229.23 g/mol. Its IUPAC name is 3-(6-methoxyquinolin-2-yl)prop-2-enoic acid.

Molecular Properties

Compound Name3-(6-methoxyquinolin-2-yl)prop-2-enoic acid
PubChem CID68678260
Molecular FormulaC13H11NO3
Molecular Weight229.23 g/mol
Exact Mass229.07
IUPAC Name3-(6-methoxyquinolin-2-yl)prop-2-enoic acid
SMILESCOc1ccc2nc(C=CC(=O)O)ccc2c1
InChIInChI=1S/C13H11NO3/c1-17-11-5-6-12-9(8-11)2-3-10(14-12)4-7-13(15)16/h2-8H,1H3,(H,15,16)
InChIKeyLVAYDTFYVYPVTR-UHFFFAOYSA-N
XLogP2.34
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.23
LogP ≤ 52.34
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

3-(6-methoxyquinolin-2-yl)prop-2-enamide
CID 175848652
6-methoxy-2-[(E)-2-phenylethenyl]quinoline
CID 71716208
(E)-3-[5,6-bis(4-methoxyphenyl)-2-pyridinyl]prop-2-enoic acid
CID 69417219
(E)-3-(7-methylquinolin-2-yl)prop-2-enoic acid
CID 68679824
3-(6-methoxy-1,3-benzothiazol-2-yl)prop-2-enoic acid
CID 131887333
(E)-3-(5-hydroxy-6-methoxy-2-pyridinyl)prop-2-enoic acid
CID 135185445
(E)-3-(7-fluoroquinolin-2-yl)prop-2-enoic acid
CID 82241904
azane;3-(4-methoxyphenyl)prop-2-enoic acid
CID 69170701
CID 69129935
CID 69129935
(E)-3-(2-acetamido-4-methoxyphenyl)prop-2-enoic acid
CID 67215978
5-[(1E,3E)-4-(6-methoxyquinolin-2-yl)buta-1,3-dienyl]pyridin-2-amine
CID 118336920
6-chloro-2-[2-(4-methoxyphenyl)ethenyl]quinoline
CID 71329713

Frequently Asked Questions

What is the IUPAC name of 3-(6-methoxyquinolin-2-yl)prop-2-enoic acid?
The IUPAC name of 3-(6-methoxyquinolin-2-yl)prop-2-enoic acid (CID 68678260) is 3-(6-methoxyquinolin-2-yl)prop-2-enoic acid.
What is the SMILES notation for 3-(6-methoxyquinolin-2-yl)prop-2-enoic acid?
The canonical SMILES for 3-(6-methoxyquinolin-2-yl)prop-2-enoic acid is COc1ccc2nc(C=CC(=O)O)ccc2c1.
What is the InChIKey of 3-(6-methoxyquinolin-2-yl)prop-2-enoic acid?
The InChIKey is LVAYDTFYVYPVTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO3/c1-17-11-5-6-12-9(8-11)2-3-10(14-12)4-7-13(15)16/h2-8H,1H3,(H,15,16).
What are the key properties of 3-(6-methoxyquinolin-2-yl)prop-2-enoic acid?
3-(6-methoxyquinolin-2-yl)prop-2-enoic acid has a molecular weight of 229.23 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methoxyquinolin-2-yl)prop-2-enoic acid is sourced from PubChem (CID 68678260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).