1-(1,2,2,4-tetramethyl-8-methylidene-9H-benzo[g]quinolin-7-yl)ethanone

C20H23NO — CID 166082874

IUPAC1-(1,2,2,4-tetramethyl-8-methylidene-9H-benzo[g]quinolin-7-yl)ethanone
SMILESC=C1Cc2cc3c(cc2C=C1C(C)=O)C(C)=CC(C)(C)N3C
InChIInChI=1S/C20H23NO/c1-12-7-15-10-19-18(9-16(15)8-17(12)14(3)22)13(2)11-20(4,5)21(19)6/h8-11H,1,7H2,2-6H3
InChIKeyVRTRGCATNVOODW-UHFFFAOYSA-N
MW293.41 g/mol
LogP4.40
Rot. Bonds1

About 1-(1,2,2,4-tetramethyl-8-methylidene-9H-benzo[g]quinolin-7-yl)ethanone

1-(1,2,2,4-tetramethyl-8-methylidene-9H-benzo[g]quinolin-7-yl)ethanone (PubChem CID 166082874) has the molecular formula C20H23NO and a molecular weight of 293.41 g/mol. Its IUPAC name is 1-(1,2,2,4-tetramethyl-8-methylidene-9H-benzo[g]quinolin-7-yl)ethanone.

Molecular Properties

Compound Name1-(1,2,2,4-tetramethyl-8-methylidene-9H-benzo[g]quinolin-7-yl)ethanone
PubChem CID166082874
Molecular FormulaC20H23NO
Molecular Weight293.41 g/mol
Exact Mass293.18
IUPAC Name1-(1,2,2,4-tetramethyl-8-methylidene-9H-benzo[g]quinolin-7-yl)ethanone
SMILESC=C1Cc2cc3c(cc2C=C1C(C)=O)C(C)=CC(C)(C)N3C
InChIInChI=1S/C20H23NO/c1-12-7-15-10-19-18(9-16(15)8-17(12)14(3)22)13(2)11-20(4,5)21(19)6/h8-11H,1,7H2,2-6H3
InChIKeyVRTRGCATNVOODW-UHFFFAOYSA-N
XLogP4.40
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}

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Related Compounds

3-acetyl-6,8,8,9-tetramethylpyrano[3,2-g]quinolin-2-one
CID 118986597
6-(1,2,2,4-tetramethylquinolin-6-yl)oxyhexanoic acid
CID 162352185
(E)-3-(7-chloro-1,2,2,4-tetramethylquinolin-6-yl)-2-cyano-N-methylprop-2-enamide
CID 50865185
N-[(1,2,2,4-tetramethylquinolin-6-yl)methylidene]hydroxylamine
CID 50864201
(5Z)-5-[(7-fluoro-1,2,2,4-tetramethylquinolin-6-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 50865333
(Z)-2-cyano-N-methyl-3-(1,2,2,4,7-pentamethylquinolin-6-yl)prop-2-enamide
CID 99887437
(E)-2-cyano-N-methyl-3-(1,2,2,4,7-pentamethylquinolin-6-yl)prop-2-enamide
CID 50864502
ethyl 6,8,8,9-tetramethyl-2-oxopyrano[3,2-g]quinoline-3-carboxylate
CID 118986596
4-[(2E)-2-[(7-chloro-1,2,2,4-tetramethylquinolin-6-yl)methylidene]hydrazinyl]benzoic acid
CID 50864865
3-hydroxy-N-[(E)-(1,2,2,4,7-pentamethylquinolin-6-yl)methylideneamino]benzamide
CID 50864727
6,8,8,9-tetramethyl-2-oxopyrano[3,2-g]quinoline-3-carbaldehyde
CID 166082885
5-[(7-chloro-1,2,2,4-tetramethylquinolin-6-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 50865137

Frequently Asked Questions

What is the IUPAC name of 1-(1,2,2,4-tetramethyl-8-methylidene-9H-benzo[g]quinolin-7-yl)ethanone?
The IUPAC name of 1-(1,2,2,4-tetramethyl-8-methylidene-9H-benzo[g]quinolin-7-yl)ethanone (CID 166082874) is 1-(1,2,2,4-tetramethyl-8-methylidene-9H-benzo[g]quinolin-7-yl)ethanone.
What is the SMILES notation for 1-(1,2,2,4-tetramethyl-8-methylidene-9H-benzo[g]quinolin-7-yl)ethanone?
The canonical SMILES for 1-(1,2,2,4-tetramethyl-8-methylidene-9H-benzo[g]quinolin-7-yl)ethanone is C=C1Cc2cc3c(cc2C=C1C(C)=O)C(C)=CC(C)(C)N3C.
What is the InChIKey of 1-(1,2,2,4-tetramethyl-8-methylidene-9H-benzo[g]quinolin-7-yl)ethanone?
The InChIKey is VRTRGCATNVOODW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO/c1-12-7-15-10-19-18(9-16(15)8-17(12)14(3)22)13(2)11-20(4,5)21(19)6/h8-11H,1,7H2,2-6H3.
What are the key properties of 1-(1,2,2,4-tetramethyl-8-methylidene-9H-benzo[g]quinolin-7-yl)ethanone?
1-(1,2,2,4-tetramethyl-8-methylidene-9H-benzo[g]quinolin-7-yl)ethanone has a molecular weight of 293.41 g/mol, XLogP of 4.40, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,2,4-tetramethyl-8-methylidene-9H-benzo[g]quinolin-7-yl)ethanone is sourced from PubChem (CID 166082874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).