4-[2-(prop-2-enylamino)ethyl]-1H-quinolin-2-one

C14H16N2O — CID 71416345

IUPAC4-[2-(prop-2-enylamino)ethyl]-1H-quinolin-2-one
SMILESC=CCNCCc1cc(=O)[nH]c2ccccc12
InChIInChI=1S/C14H16N2O/c1-2-8-15-9-7-11-10-14(17)16-13-6-4-3-5-12(11)13/h2-6,10,15H,1,7-9H2,(H,16,17)
InChIKeyPICIWAOMECQFJM-UHFFFAOYSA-N
MW228.29 g/mol
LogP1.85
Rot. Bonds5

About 4-[2-(prop-2-enylamino)ethyl]-1H-quinolin-2-one

4-[2-(prop-2-enylamino)ethyl]-1H-quinolin-2-one (PubChem CID 71416345) has the molecular formula C14H16N2O and a molecular weight of 228.29 g/mol. Its IUPAC name is 4-[2-(prop-2-enylamino)ethyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name4-[2-(prop-2-enylamino)ethyl]-1H-quinolin-2-one
PubChem CID71416345
Molecular FormulaC14H16N2O
Molecular Weight228.29 g/mol
Exact Mass228.13
IUPAC Name4-[2-(prop-2-enylamino)ethyl]-1H-quinolin-2-one
SMILESC=CCNCCc1cc(=O)[nH]c2ccccc12
InChIInChI=1S/C14H16N2O/c1-2-8-15-9-7-11-10-14(17)16-13-6-4-3-5-12(11)13/h2-6,10,15H,1,7-9H2,(H,16,17)
InChIKeyPICIWAOMECQFJM-UHFFFAOYSA-N
XLogP1.85
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(prop-2-enylamino)ethyl]-1H-quinolin-2-one?
The IUPAC name of 4-[2-(prop-2-enylamino)ethyl]-1H-quinolin-2-one (CID 71416345) is 4-[2-(prop-2-enylamino)ethyl]-1H-quinolin-2-one.
What is the SMILES notation for 4-[2-(prop-2-enylamino)ethyl]-1H-quinolin-2-one?
The canonical SMILES for 4-[2-(prop-2-enylamino)ethyl]-1H-quinolin-2-one is C=CCNCCc1cc(=O)[nH]c2ccccc12.
What is the InChIKey of 4-[2-(prop-2-enylamino)ethyl]-1H-quinolin-2-one?
The InChIKey is PICIWAOMECQFJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-2-8-15-9-7-11-10-14(17)16-13-6-4-3-5-12(11)13/h2-6,10,15H,1,7-9H2,(H,16,17).
What are the key properties of 4-[2-(prop-2-enylamino)ethyl]-1H-quinolin-2-one?
4-[2-(prop-2-enylamino)ethyl]-1H-quinolin-2-one has a molecular weight of 228.29 g/mol, XLogP of 1.85, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(prop-2-enylamino)ethyl]-1H-quinolin-2-one is sourced from PubChem (CID 71416345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).