3-(aminomethyl)-1-(2-butoxyethyl)quinolin-2-one

C16H22N2O2 — CID 63019050

IUPAC3-(aminomethyl)-1-(2-butoxyethyl)quinolin-2-one
SMILESCCCCOCCn1c(=O)c(CN)cc2ccccc21
InChIInChI=1S/C16H22N2O2/c1-2-3-9-20-10-8-18-15-7-5-4-6-13(15)11-14(12-17)16(18)19/h4-7,11H,2-3,8-10,12,17H2,1H3
InChIKeyGBLAAKYHZKYJHT-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.28
Rot. Bonds7

About 3-(aminomethyl)-1-(2-butoxyethyl)quinolin-2-one

3-(aminomethyl)-1-(2-butoxyethyl)quinolin-2-one (PubChem CID 63019050) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 3-(aminomethyl)-1-(2-butoxyethyl)quinolin-2-one.

Molecular Properties

Compound Name3-(aminomethyl)-1-(2-butoxyethyl)quinolin-2-one
PubChem CID63019050
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name3-(aminomethyl)-1-(2-butoxyethyl)quinolin-2-one
SMILESCCCCOCCn1c(=O)c(CN)cc2ccccc21
InChIInChI=1S/C16H22N2O2/c1-2-3-9-20-10-8-18-15-7-5-4-6-13(15)11-14(12-17)16(18)19/h4-7,11H,2-3,8-10,12,17H2,1H3
InChIKeyGBLAAKYHZKYJHT-UHFFFAOYSA-N
XLogP2.28
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-1-(2-butoxyethyl)quinolin-2-one?
The IUPAC name of 3-(aminomethyl)-1-(2-butoxyethyl)quinolin-2-one (CID 63019050) is 3-(aminomethyl)-1-(2-butoxyethyl)quinolin-2-one.
What is the SMILES notation for 3-(aminomethyl)-1-(2-butoxyethyl)quinolin-2-one?
The canonical SMILES for 3-(aminomethyl)-1-(2-butoxyethyl)quinolin-2-one is CCCCOCCn1c(=O)c(CN)cc2ccccc21.
What is the InChIKey of 3-(aminomethyl)-1-(2-butoxyethyl)quinolin-2-one?
The InChIKey is GBLAAKYHZKYJHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-2-3-9-20-10-8-18-15-7-5-4-6-13(15)11-14(12-17)16(18)19/h4-7,11H,2-3,8-10,12,17H2,1H3.
What are the key properties of 3-(aminomethyl)-1-(2-butoxyethyl)quinolin-2-one?
3-(aminomethyl)-1-(2-butoxyethyl)quinolin-2-one has a molecular weight of 274.36 g/mol, XLogP of 2.28, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-1-(2-butoxyethyl)quinolin-2-one is sourced from PubChem (CID 63019050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).