3-[[bis(prop-2-enyl)amino]methyl]-2,7,8-trimethyl-1H-quinolin-4-one

C19H24N2O — CID 702735

IUPAC3-[[bis(prop-2-enyl)amino]methyl]-2,7,8-trimethyl-1H-quinolin-4-one
SMILESC=CCN(CC=C)Cc1c(C)[nH]c2c(C)c(C)ccc2c1=O
InChIInChI=1S/C19H24N2O/c1-6-10-21(11-7-2)12-17-15(5)20-18-14(4)13(3)8-9-16(18)19(17)22/h6-9H,1-2,10-12H2,3-5H3,(H,20,22)
InChIKeyPDTAZOCERJJOKM-UHFFFAOYSA-N
MW296.41 g/mol
LogP3.63
Rot. Bonds6

About 3-[[bis(prop-2-enyl)amino]methyl]-2,7,8-trimethyl-1H-quinolin-4-one

3-[[bis(prop-2-enyl)amino]methyl]-2,7,8-trimethyl-1H-quinolin-4-one (PubChem CID 702735) has the molecular formula C19H24N2O and a molecular weight of 296.41 g/mol. Its IUPAC name is 3-[[bis(prop-2-enyl)amino]methyl]-2,7,8-trimethyl-1H-quinolin-4-one.

Molecular Properties

Compound Name3-[[bis(prop-2-enyl)amino]methyl]-2,7,8-trimethyl-1H-quinolin-4-one
PubChem CID702735
Molecular FormulaC19H24N2O
Molecular Weight296.41 g/mol
Exact Mass296.19
IUPAC Name3-[[bis(prop-2-enyl)amino]methyl]-2,7,8-trimethyl-1H-quinolin-4-one
SMILESC=CCN(CC=C)Cc1c(C)[nH]c2c(C)c(C)ccc2c1=O
InChIInChI=1S/C19H24N2O/c1-6-10-21(11-7-2)12-17-15(5)20-18-14(4)13(3)8-9-16(18)19(17)22/h6-9H,1-2,10-12H2,3-5H3,(H,20,22)
InChIKeyPDTAZOCERJJOKM-UHFFFAOYSA-N
XLogP3.63
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 53.63
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]-2,7,8-trimethyl-1H-quinolin-4-one?
The IUPAC name of 3-[[bis(prop-2-enyl)amino]methyl]-2,7,8-trimethyl-1H-quinolin-4-one (CID 702735) is 3-[[bis(prop-2-enyl)amino]methyl]-2,7,8-trimethyl-1H-quinolin-4-one.
What is the SMILES notation for 3-[[bis(prop-2-enyl)amino]methyl]-2,7,8-trimethyl-1H-quinolin-4-one?
The canonical SMILES for 3-[[bis(prop-2-enyl)amino]methyl]-2,7,8-trimethyl-1H-quinolin-4-one is C=CCN(CC=C)Cc1c(C)[nH]c2c(C)c(C)ccc2c1=O.
What is the InChIKey of 3-[[bis(prop-2-enyl)amino]methyl]-2,7,8-trimethyl-1H-quinolin-4-one?
The InChIKey is PDTAZOCERJJOKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O/c1-6-10-21(11-7-2)12-17-15(5)20-18-14(4)13(3)8-9-16(18)19(17)22/h6-9H,1-2,10-12H2,3-5H3,(H,20,22).
What are the key properties of 3-[[bis(prop-2-enyl)amino]methyl]-2,7,8-trimethyl-1H-quinolin-4-one?
3-[[bis(prop-2-enyl)amino]methyl]-2,7,8-trimethyl-1H-quinolin-4-one has a molecular weight of 296.41 g/mol, XLogP of 3.63, 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]-2,7,8-trimethyl-1H-quinolin-4-one is sourced from PubChem (CID 702735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).