1-[2-(prop-2-enylamino)acetyl]-3,4-dihydro-2H-quinoline-3-carboxylic acid

C15H18N2O3 — CID 106901919

IUPAC1-[2-(prop-2-enylamino)acetyl]-3,4-dihydro-2H-quinoline-3-carboxylic acid
SMILESC=CCNCC(=O)N1CC(C(=O)O)Cc2ccccc21
InChIInChI=1S/C15H18N2O3/c1-2-7-16-9-14(18)17-10-12(15(19)20)8-11-5-3-4-6-13(11)17/h2-6,12,16H,1,7-10H2,(H,19,20)
InChIKeyHMGJXIFGFRSWPS-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.05
Rot. Bonds5

About 1-[2-(prop-2-enylamino)acetyl]-3,4-dihydro-2H-quinoline-3-carboxylic acid

1-[2-(prop-2-enylamino)acetyl]-3,4-dihydro-2H-quinoline-3-carboxylic acid (PubChem CID 106901919) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 1-[2-(prop-2-enylamino)acetyl]-3,4-dihydro-2H-quinoline-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(prop-2-enylamino)acetyl]-3,4-dihydro-2H-quinoline-3-carboxylic acid
PubChem CID106901919
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name1-[2-(prop-2-enylamino)acetyl]-3,4-dihydro-2H-quinoline-3-carboxylic acid
SMILESC=CCNCC(=O)N1CC(C(=O)O)Cc2ccccc21
InChIInChI=1S/C15H18N2O3/c1-2-7-16-9-14(18)17-10-12(15(19)20)8-11-5-3-4-6-13(11)17/h2-6,12,16H,1,7-10H2,(H,19,20)
InChIKeyHMGJXIFGFRSWPS-UHFFFAOYSA-N
XLogP1.05
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-methylsulfonylacetyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid
CID 106902475
1-butanoyl-3,4-dihydro-2H-quinoline-3-carboxylic acid
CID 106902190
1-(2-chloroprop-2-enylcarbamoyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid
CID 106902877
1-(2,2-dimethylpropylcarbamoyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid
CID 106902849
1-[2-(oxolan-2-yl)acetyl]-3,4-dihydro-2H-quinoline-3-carboxylic acid
CID 106902142
1-(2-butylsulfanylacetyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid
CID 106902458
1-(3-propoxypropanoyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid
CID 106902474
1-(piperidine-4-carbonyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid
CID 106901905
1-[(2-methylcyclopropyl)methylcarbamoyl]-3,4-dihydro-2H-quinoline-3-carboxylic acid
CID 106902875
1-(1-methylpyrrole-2-carbonyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid
CID 106902409
2-anilino-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone;hydrochloride
CID 119776726
1-(cyclopropylmethyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid
CID 106902942

Frequently Asked Questions

What is the IUPAC name of 1-[2-(prop-2-enylamino)acetyl]-3,4-dihydro-2H-quinoline-3-carboxylic acid?
The IUPAC name of 1-[2-(prop-2-enylamino)acetyl]-3,4-dihydro-2H-quinoline-3-carboxylic acid (CID 106901919) is 1-[2-(prop-2-enylamino)acetyl]-3,4-dihydro-2H-quinoline-3-carboxylic acid.
What is the SMILES notation for 1-[2-(prop-2-enylamino)acetyl]-3,4-dihydro-2H-quinoline-3-carboxylic acid?
The canonical SMILES for 1-[2-(prop-2-enylamino)acetyl]-3,4-dihydro-2H-quinoline-3-carboxylic acid is C=CCNCC(=O)N1CC(C(=O)O)Cc2ccccc21.
What is the InChIKey of 1-[2-(prop-2-enylamino)acetyl]-3,4-dihydro-2H-quinoline-3-carboxylic acid?
The InChIKey is HMGJXIFGFRSWPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-2-7-16-9-14(18)17-10-12(15(19)20)8-11-5-3-4-6-13(11)17/h2-6,12,16H,1,7-10H2,(H,19,20).
What are the key properties of 1-[2-(prop-2-enylamino)acetyl]-3,4-dihydro-2H-quinoline-3-carboxylic acid?
1-[2-(prop-2-enylamino)acetyl]-3,4-dihydro-2H-quinoline-3-carboxylic acid has a molecular weight of 274.32 g/mol, XLogP of 1.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(prop-2-enylamino)acetyl]-3,4-dihydro-2H-quinoline-3-carboxylic acid is sourced from PubChem (CID 106901919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).