1,4,5,7-tetramethyl-2-oxoquinoline-3-carbaldehyde

C14H15NO2 — CID 84625850

IUPAC1,4,5,7-tetramethyl-2-oxoquinoline-3-carbaldehyde
SMILESCc1cc(C)c2c(C)c(C=O)c(=O)n(C)c2c1
InChIInChI=1S/C14H15NO2/c1-8-5-9(2)13-10(3)11(7-16)14(17)15(4)12(13)6-8/h5-7H,1-4H3
InChIKeyXVXXIKOLOOJWPS-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.28
Rot. Bonds1

About 1,4,5,7-tetramethyl-2-oxoquinoline-3-carbaldehyde

1,4,5,7-tetramethyl-2-oxoquinoline-3-carbaldehyde (PubChem CID 84625850) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is 1,4,5,7-tetramethyl-2-oxoquinoline-3-carbaldehyde.

Molecular Properties

Compound Name1,4,5,7-tetramethyl-2-oxoquinoline-3-carbaldehyde
PubChem CID84625850
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Name1,4,5,7-tetramethyl-2-oxoquinoline-3-carbaldehyde
SMILESCc1cc(C)c2c(C)c(C=O)c(=O)n(C)c2c1
InChIInChI=1S/C14H15NO2/c1-8-5-9(2)13-10(3)11(7-16)14(17)15(4)12(13)6-8/h5-7H,1-4H3
InChIKeyXVXXIKOLOOJWPS-UHFFFAOYSA-N
XLogP2.28
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,4,5,7-tetramethyl-2-oxoquinoline-3-carbaldehyde?
The IUPAC name of 1,4,5,7-tetramethyl-2-oxoquinoline-3-carbaldehyde (CID 84625850) is 1,4,5,7-tetramethyl-2-oxoquinoline-3-carbaldehyde.
What is the SMILES notation for 1,4,5,7-tetramethyl-2-oxoquinoline-3-carbaldehyde?
The canonical SMILES for 1,4,5,7-tetramethyl-2-oxoquinoline-3-carbaldehyde is Cc1cc(C)c2c(C)c(C=O)c(=O)n(C)c2c1.
What is the InChIKey of 1,4,5,7-tetramethyl-2-oxoquinoline-3-carbaldehyde?
The InChIKey is XVXXIKOLOOJWPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c1-8-5-9(2)13-10(3)11(7-16)14(17)15(4)12(13)6-8/h5-7H,1-4H3.
What are the key properties of 1,4,5,7-tetramethyl-2-oxoquinoline-3-carbaldehyde?
1,4,5,7-tetramethyl-2-oxoquinoline-3-carbaldehyde has a molecular weight of 229.28 g/mol, XLogP of 2.28, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,5,7-tetramethyl-2-oxoquinoline-3-carbaldehyde is sourced from PubChem (CID 84625850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).