2-(prop-2-enylamino)-2-quinolin-6-ylacetic acid

C14H14N2O2 — CID 63969791

IUPAC2-(prop-2-enylamino)-2-quinolin-6-ylacetic acid
SMILESC=CCNC(C(=O)O)c1ccc2ncccc2c1
InChIInChI=1S/C14H14N2O2/c1-2-7-16-13(14(17)18)11-5-6-12-10(9-11)4-3-8-15-12/h2-6,8-9,13,16H,1,7H2,(H,17,18)
InChIKeyLUHMOYMXHNKKHT-UHFFFAOYSA-N
MW242.28 g/mol
LogP2.14
Rot. Bonds5

About 2-(prop-2-enylamino)-2-quinolin-6-ylacetic acid

2-(prop-2-enylamino)-2-quinolin-6-ylacetic acid (PubChem CID 63969791) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is 2-(prop-2-enylamino)-2-quinolin-6-ylacetic acid.

Molecular Properties

Compound Name2-(prop-2-enylamino)-2-quinolin-6-ylacetic acid
PubChem CID63969791
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Name2-(prop-2-enylamino)-2-quinolin-6-ylacetic acid
SMILESC=CCNC(C(=O)O)c1ccc2ncccc2c1
InChIInChI=1S/C14H14N2O2/c1-2-7-16-13(14(17)18)11-5-6-12-10(9-11)4-3-8-15-12/h2-6,8-9,13,16H,1,7H2,(H,17,18)
InChIKeyLUHMOYMXHNKKHT-UHFFFAOYSA-N
XLogP2.14
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-2-quinolin-6-ylbutanoic acid
CID 81224451
N-ethyl-1-quinolin-6-ylbut-3-en-1-amine
CID 55181079
ethyl 2-(2-methylquinolin-6-yl)-2-(prop-2-enylamino)acetate
CID 105378922
4-hydroxy-2-methyl-4-quinolin-6-ylbutanoic acid
CID 63969311
2-[hydroxy(quinolin-6-yl)methyl]-3-methylbutanoic acid
CID 63973005
(1S)-1-quinolin-6-ylprop-2-en-1-amine
CID 130700290
4-amino-4-quinolin-6-ylbutanoic acid
CID 84693454
4,4,4-trifluoro-1-quinolin-6-ylbutan-1-ol
CID 64566958
prop-2-enyl 2-oxo-2-quinolin-6-ylacetate
CID 68561786
[(2S)-2-hydroxy-2-quinolin-6-ylethyl]azanium
CID 7016270
6-(3-quinolin-6-ylbutan-2-yl)quinoline
CID 20658775
2-fluoro-2-quinolin-6-ylacetyl chloride;hydrochloride
CID 159246626

Frequently Asked Questions

What is the IUPAC name of 2-(prop-2-enylamino)-2-quinolin-6-ylacetic acid?
The IUPAC name of 2-(prop-2-enylamino)-2-quinolin-6-ylacetic acid (CID 63969791) is 2-(prop-2-enylamino)-2-quinolin-6-ylacetic acid.
What is the SMILES notation for 2-(prop-2-enylamino)-2-quinolin-6-ylacetic acid?
The canonical SMILES for 2-(prop-2-enylamino)-2-quinolin-6-ylacetic acid is C=CCNC(C(=O)O)c1ccc2ncccc2c1.
What is the InChIKey of 2-(prop-2-enylamino)-2-quinolin-6-ylacetic acid?
The InChIKey is LUHMOYMXHNKKHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c1-2-7-16-13(14(17)18)11-5-6-12-10(9-11)4-3-8-15-12/h2-6,8-9,13,16H,1,7H2,(H,17,18).
What are the key properties of 2-(prop-2-enylamino)-2-quinolin-6-ylacetic acid?
2-(prop-2-enylamino)-2-quinolin-6-ylacetic acid has a molecular weight of 242.28 g/mol, XLogP of 2.14, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(prop-2-enylamino)-2-quinolin-6-ylacetic acid is sourced from PubChem (CID 63969791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).