3-[[bis(prop-2-enyl)amino]methyl]-2,8-dimethyl-1H-quinolin-4-one

C18H22N2O — CID 535176

IUPAC3-[[bis(prop-2-enyl)amino]methyl]-2,8-dimethyl-1H-quinolin-4-one
SMILESC=CCN(CC=C)Cc1c(C)[nH]c2c(C)cccc2c1=O
InChIInChI=1S/C18H22N2O/c1-5-10-20(11-6-2)12-16-14(4)19-17-13(3)8-7-9-15(17)18(16)21/h5-9H,1-2,10-12H2,3-4H3,(H,19,21)
InChIKeyDUKZBMAPDUEDOD-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.32
Rot. Bonds6

About 3-[[bis(prop-2-enyl)amino]methyl]-2,8-dimethyl-1H-quinolin-4-one

3-[[bis(prop-2-enyl)amino]methyl]-2,8-dimethyl-1H-quinolin-4-one (PubChem CID 535176) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 3-[[bis(prop-2-enyl)amino]methyl]-2,8-dimethyl-1H-quinolin-4-one.

Molecular Properties

Compound Name3-[[bis(prop-2-enyl)amino]methyl]-2,8-dimethyl-1H-quinolin-4-one
PubChem CID535176
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name3-[[bis(prop-2-enyl)amino]methyl]-2,8-dimethyl-1H-quinolin-4-one
SMILESC=CCN(CC=C)Cc1c(C)[nH]c2c(C)cccc2c1=O
InChIInChI=1S/C18H22N2O/c1-5-10-20(11-6-2)12-16-14(4)19-17-13(3)8-7-9-15(17)18(16)21/h5-9H,1-2,10-12H2,3-4H3,(H,19,21)
InChIKeyDUKZBMAPDUEDOD-UHFFFAOYSA-N
XLogP3.32
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[[bis(prop-2-enyl)amino]methyl]-2,8-dimethyl-1H-quinolin-4-one?
The IUPAC name of 3-[[bis(prop-2-enyl)amino]methyl]-2,8-dimethyl-1H-quinolin-4-one (CID 535176) is 3-[[bis(prop-2-enyl)amino]methyl]-2,8-dimethyl-1H-quinolin-4-one.
What is the SMILES notation for 3-[[bis(prop-2-enyl)amino]methyl]-2,8-dimethyl-1H-quinolin-4-one?
The canonical SMILES for 3-[[bis(prop-2-enyl)amino]methyl]-2,8-dimethyl-1H-quinolin-4-one is C=CCN(CC=C)Cc1c(C)[nH]c2c(C)cccc2c1=O.
What is the InChIKey of 3-[[bis(prop-2-enyl)amino]methyl]-2,8-dimethyl-1H-quinolin-4-one?
The InChIKey is DUKZBMAPDUEDOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-5-10-20(11-6-2)12-16-14(4)19-17-13(3)8-7-9-15(17)18(16)21/h5-9H,1-2,10-12H2,3-4H3,(H,19,21).
What are the key properties of 3-[[bis(prop-2-enyl)amino]methyl]-2,8-dimethyl-1H-quinolin-4-one?
3-[[bis(prop-2-enyl)amino]methyl]-2,8-dimethyl-1H-quinolin-4-one has a molecular weight of 282.39 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[bis(prop-2-enyl)amino]methyl]-2,8-dimethyl-1H-quinolin-4-one is sourced from PubChem (CID 535176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).