6,8,8,9-tetramethyl-2-oxopyrano[3,2-g]quinoline-3-carbaldehyde

C17H17NO3 — CID 166082885

IUPAC6,8,8,9-tetramethyl-2-oxopyrano[3,2-g]quinoline-3-carbaldehyde
SMILESCC1=CC(C)(C)N(C)c2cc3oc(=O)c(C=O)cc3cc21
InChIInChI=1S/C17H17NO3/c1-10-8-17(2,3)18(4)14-7-15-11(6-13(10)14)5-12(9-19)16(20)21-15/h5-9H,1-4H3
InChIKeyILQKNBYGWPBVHN-UHFFFAOYSA-N
MW283.33 g/mol
LogP3.24
Rot. Bonds1

About 6,8,8,9-tetramethyl-2-oxopyrano[3,2-g]quinoline-3-carbaldehyde

6,8,8,9-tetramethyl-2-oxopyrano[3,2-g]quinoline-3-carbaldehyde (PubChem CID 166082885) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is 6,8,8,9-tetramethyl-2-oxopyrano[3,2-g]quinoline-3-carbaldehyde.

Molecular Properties

Compound Name6,8,8,9-tetramethyl-2-oxopyrano[3,2-g]quinoline-3-carbaldehyde
PubChem CID166082885
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Name6,8,8,9-tetramethyl-2-oxopyrano[3,2-g]quinoline-3-carbaldehyde
SMILESCC1=CC(C)(C)N(C)c2cc3oc(=O)c(C=O)cc3cc21
InChIInChI=1S/C17H17NO3/c1-10-8-17(2,3)18(4)14-7-15-11(6-13(10)14)5-12(9-19)16(20)21-15/h5-9H,1-4H3
InChIKeyILQKNBYGWPBVHN-UHFFFAOYSA-N
XLogP3.24
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-acetyl-6,8,8,9-tetramethylpyrano[3,2-g]quinolin-2-one
CID 118986597
ethyl 6,8,8,9-tetramethyl-2-oxopyrano[3,2-g]quinoline-3-carboxylate
CID 118986596
9-ethyl-6,8,8-trimethyl-2-oxopyrano[3,2-g]quinoline-3-carboxylic acid;methyl 9-ethyl-6,8,8-trimethyl-2-oxopyrano[3,2-g]quinoline-3-carboxylate
CID 160686131
(5E)-5-[(1,2,2,4,7-pentamethylquinolin-6-yl)methylidene]imidazolidine-2,4-dione
CID 99887422
(5Z)-5-[(7-fluoro-1,2,2,4-tetramethylquinolin-6-yl)methylidene]-3-methyl-1,3-thiazolidine-2,4-dione
CID 50865340
2,2,4,7-tetramethyl-1-propylquinoline-6-carbaldehyde
CID 50868619
5-chloro-N-[(Z)-(1,2,2,4,7-pentamethylquinolin-6-yl)methylideneamino]-1-benzofuran-2-carboxamide
CID 50864660
5-[(7-chloro-1,2,2,4-tetramethylquinolin-6-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 50865137
(5Z)-5-[(7-fluoro-1,2,2,4-tetramethylquinolin-6-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 50865333
7-(ethylamino)-2-oxochromene-3-carbaldehyde
CID 89125523
5-nitro-N-[(Z)-(1,2,2,4,7-pentamethylquinolin-6-yl)methylideneamino]-1-benzofuran-2-carboxamide
CID 50864702
tert-butyl 4-(6,8,8-trimethyl-2-oxo-3-pyridin-4-ylpyrano[3,2-g]quinolin-9-yl)butanoate
CID 135179386

Frequently Asked Questions

What is the IUPAC name of 6,8,8,9-tetramethyl-2-oxopyrano[3,2-g]quinoline-3-carbaldehyde?
The IUPAC name of 6,8,8,9-tetramethyl-2-oxopyrano[3,2-g]quinoline-3-carbaldehyde (CID 166082885) is 6,8,8,9-tetramethyl-2-oxopyrano[3,2-g]quinoline-3-carbaldehyde.
What is the SMILES notation for 6,8,8,9-tetramethyl-2-oxopyrano[3,2-g]quinoline-3-carbaldehyde?
The canonical SMILES for 6,8,8,9-tetramethyl-2-oxopyrano[3,2-g]quinoline-3-carbaldehyde is CC1=CC(C)(C)N(C)c2cc3oc(=O)c(C=O)cc3cc21.
What is the InChIKey of 6,8,8,9-tetramethyl-2-oxopyrano[3,2-g]quinoline-3-carbaldehyde?
The InChIKey is ILQKNBYGWPBVHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c1-10-8-17(2,3)18(4)14-7-15-11(6-13(10)14)5-12(9-19)16(20)21-15/h5-9H,1-4H3.
What are the key properties of 6,8,8,9-tetramethyl-2-oxopyrano[3,2-g]quinoline-3-carbaldehyde?
6,8,8,9-tetramethyl-2-oxopyrano[3,2-g]quinoline-3-carbaldehyde has a molecular weight of 283.33 g/mol, XLogP of 3.24, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8,8,9-tetramethyl-2-oxopyrano[3,2-g]quinoline-3-carbaldehyde is sourced from PubChem (CID 166082885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).