2-(2-iminoacetyl)-6,7,8-trimethyl-1H-quinolin-4-one

C14H14N2O2 — CID 143018685

IUPAC2-(2-iminoacetyl)-6,7,8-trimethyl-1H-quinolin-4-one
SMILES[H]/N=C/C(=O)c1cc(=O)c2cc(C)c(C)c(C)c2[nH]1
InChIInChI=1S/C14H14N2O2/c1-7-4-10-12(17)5-11(13(18)6-15)16-14(10)9(3)8(7)2/h4-6,15H,1-3H3,(H,16,17)/b15-6+
InChIKeyJPIIESUDCPIQGY-GIDUJCDVSA-N
MW242.28 g/mol
LogP2.29
Rot. Bonds2

About 2-(2-iminoacetyl)-6,7,8-trimethyl-1H-quinolin-4-one

2-(2-iminoacetyl)-6,7,8-trimethyl-1H-quinolin-4-one (PubChem CID 143018685) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is 2-(2-iminoacetyl)-6,7,8-trimethyl-1H-quinolin-4-one.

Molecular Properties

Compound Name2-(2-iminoacetyl)-6,7,8-trimethyl-1H-quinolin-4-one
PubChem CID143018685
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Name2-(2-iminoacetyl)-6,7,8-trimethyl-1H-quinolin-4-one
SMILES[H]/N=C/C(=O)c1cc(=O)c2cc(C)c(C)c(C)c2[nH]1
InChIInChI=1S/C14H14N2O2/c1-7-4-10-12(17)5-11(13(18)6-15)16-14(10)9(3)8(7)2/h4-6,15H,1-3H3,(H,16,17)/b15-6+
InChIKeyJPIIESUDCPIQGY-GIDUJCDVSA-N
XLogP2.29
TPSA73.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-iminoacetyl)-6,7,8-trimethyl-1H-quinolin-4-one?
The IUPAC name of 2-(2-iminoacetyl)-6,7,8-trimethyl-1H-quinolin-4-one (CID 143018685) is 2-(2-iminoacetyl)-6,7,8-trimethyl-1H-quinolin-4-one.
What is the SMILES notation for 2-(2-iminoacetyl)-6,7,8-trimethyl-1H-quinolin-4-one?
The canonical SMILES for 2-(2-iminoacetyl)-6,7,8-trimethyl-1H-quinolin-4-one is [H]/N=C/C(=O)c1cc(=O)c2cc(C)c(C)c(C)c2[nH]1.
What is the InChIKey of 2-(2-iminoacetyl)-6,7,8-trimethyl-1H-quinolin-4-one?
The InChIKey is JPIIESUDCPIQGY-GIDUJCDVSA-N. The full InChI is InChI=1S/C14H14N2O2/c1-7-4-10-12(17)5-11(13(18)6-15)16-14(10)9(3)8(7)2/h4-6,15H,1-3H3,(H,16,17)/b15-6+.
What are the key properties of 2-(2-iminoacetyl)-6,7,8-trimethyl-1H-quinolin-4-one?
2-(2-iminoacetyl)-6,7,8-trimethyl-1H-quinolin-4-one has a molecular weight of 242.28 g/mol, XLogP of 2.29, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-iminoacetyl)-6,7,8-trimethyl-1H-quinolin-4-one is sourced from PubChem (CID 143018685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).