2-(prop-2-enylamino)-N-quinolin-5-ylacetamide

C14H15N3O — CID 112723293

IUPAC2-(prop-2-enylamino)-N-quinolin-5-ylacetamide
SMILESC=CCNCC(=O)Nc1cccc2ncccc12
InChIInChI=1S/C14H15N3O/c1-2-8-15-10-14(18)17-13-7-3-6-12-11(13)5-4-9-16-12/h2-7,9,15H,1,8,10H2,(H,17,18)
InChIKeyFJISFJJBVPSSSU-UHFFFAOYSA-N
MW241.29 g/mol
LogP1.95
Rot. Bonds5

About 2-(prop-2-enylamino)-N-quinolin-5-ylacetamide

2-(prop-2-enylamino)-N-quinolin-5-ylacetamide (PubChem CID 112723293) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is 2-(prop-2-enylamino)-N-quinolin-5-ylacetamide.

Molecular Properties

Compound Name2-(prop-2-enylamino)-N-quinolin-5-ylacetamide
PubChem CID112723293
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name2-(prop-2-enylamino)-N-quinolin-5-ylacetamide
SMILESC=CCNCC(=O)Nc1cccc2ncccc12
InChIInChI=1S/C14H15N3O/c1-2-8-15-10-14(18)17-13-7-3-6-12-11(13)5-4-9-16-12/h2-7,9,15H,1,8,10H2,(H,17,18)
InChIKeyFJISFJJBVPSSSU-UHFFFAOYSA-N
XLogP1.95
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 51.95
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

2-chloro-N-quinolin-5-ylacetamide;hydrochloride
CID 155943918
2,2-dimethyl-N-[2-oxo-2-(quinolin-5-ylamino)ethyl]propanamide
CID 86977886
2-(benzhydrylamino)-N-quinolin-5-ylacetamide
CID 42126505
2-(4-hydroxyphenyl)-N-quinolin-5-ylacetamide
CID 78838145
3,3-dimethyl-N-quinolin-5-ylbutanamide
CID 24654624
N-[2-(hydroxymethyl)phenyl]-2-(prop-2-enylamino)acetamide
CID 79285478
N-(2-chlorophenyl)-2-(prop-2-enylamino)acetamide
CID 28563439
2-(3-fluorophenyl)-N-quinolin-5-ylacetamide
CID 17391782
2-(4-acetylpiperazin-1-yl)-N-quinolin-5-ylacetamide
CID 17428284
methyl N-quinolin-5-ylcarbamate
CID 110734012
(2E)-2-hydroxyimino-N-quinolin-5-ylacetamide
CID 17388517
3-hydroxy-3-phenyl-N-quinolin-5-ylbutanamide
CID 110024307

Frequently Asked Questions

What is the IUPAC name of 2-(prop-2-enylamino)-N-quinolin-5-ylacetamide?
The IUPAC name of 2-(prop-2-enylamino)-N-quinolin-5-ylacetamide (CID 112723293) is 2-(prop-2-enylamino)-N-quinolin-5-ylacetamide.
What is the SMILES notation for 2-(prop-2-enylamino)-N-quinolin-5-ylacetamide?
The canonical SMILES for 2-(prop-2-enylamino)-N-quinolin-5-ylacetamide is C=CCNCC(=O)Nc1cccc2ncccc12.
What is the InChIKey of 2-(prop-2-enylamino)-N-quinolin-5-ylacetamide?
The InChIKey is FJISFJJBVPSSSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c1-2-8-15-10-14(18)17-13-7-3-6-12-11(13)5-4-9-16-12/h2-7,9,15H,1,8,10H2,(H,17,18).
What are the key properties of 2-(prop-2-enylamino)-N-quinolin-5-ylacetamide?
2-(prop-2-enylamino)-N-quinolin-5-ylacetamide has a molecular weight of 241.29 g/mol, XLogP of 1.95, 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)-N-quinolin-5-ylacetamide is sourced from PubChem (CID 112723293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).