1-(1,3-dioxolan-2-ylmethyl)-7-methyl-2-oxoquinoline-4-carbaldehyde

C15H15NO4 — CID 59397876

IUPAC1-(1,3-dioxolan-2-ylmethyl)-7-methyl-2-oxoquinoline-4-carbaldehyde
SMILESCc1ccc2c(C=O)cc(=O)n(CC3OCCO3)c2c1
InChIInChI=1S/C15H15NO4/c1-10-2-3-12-11(9-17)7-14(18)16(13(12)6-10)8-15-19-4-5-20-15/h2-3,6-7,9,15H,4-5,8H2,1H3
InChIKeyYOVZFHVVQAUTRV-UHFFFAOYSA-N
MW273.29 g/mol
LogP1.50
Rot. Bonds3

About 1-(1,3-dioxolan-2-ylmethyl)-7-methyl-2-oxoquinoline-4-carbaldehyde

1-(1,3-dioxolan-2-ylmethyl)-7-methyl-2-oxoquinoline-4-carbaldehyde (PubChem CID 59397876) has the molecular formula C15H15NO4 and a molecular weight of 273.29 g/mol. Its IUPAC name is 1-(1,3-dioxolan-2-ylmethyl)-7-methyl-2-oxoquinoline-4-carbaldehyde.

Molecular Properties

Compound Name1-(1,3-dioxolan-2-ylmethyl)-7-methyl-2-oxoquinoline-4-carbaldehyde
PubChem CID59397876
Molecular FormulaC15H15NO4
Molecular Weight273.29 g/mol
Exact Mass273.10
IUPAC Name1-(1,3-dioxolan-2-ylmethyl)-7-methyl-2-oxoquinoline-4-carbaldehyde
SMILESCc1ccc2c(C=O)cc(=O)n(CC3OCCO3)c2c1
InChIInChI=1S/C15H15NO4/c1-10-2-3-12-11(9-17)7-14(18)16(13(12)6-10)8-15-19-4-5-20-15/h2-3,6-7,9,15H,4-5,8H2,1H3
InChIKeyYOVZFHVVQAUTRV-UHFFFAOYSA-N
XLogP1.50
TPSA57.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-(1,3-dioxolan-2-ylmethyl)-7-methyl-2-oxoquinoline-4-carbaldehyde?
The IUPAC name of 1-(1,3-dioxolan-2-ylmethyl)-7-methyl-2-oxoquinoline-4-carbaldehyde (CID 59397876) is 1-(1,3-dioxolan-2-ylmethyl)-7-methyl-2-oxoquinoline-4-carbaldehyde.
What is the SMILES notation for 1-(1,3-dioxolan-2-ylmethyl)-7-methyl-2-oxoquinoline-4-carbaldehyde?
The canonical SMILES for 1-(1,3-dioxolan-2-ylmethyl)-7-methyl-2-oxoquinoline-4-carbaldehyde is Cc1ccc2c(C=O)cc(=O)n(CC3OCCO3)c2c1.
What is the InChIKey of 1-(1,3-dioxolan-2-ylmethyl)-7-methyl-2-oxoquinoline-4-carbaldehyde?
The InChIKey is YOVZFHVVQAUTRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4/c1-10-2-3-12-11(9-17)7-14(18)16(13(12)6-10)8-15-19-4-5-20-15/h2-3,6-7,9,15H,4-5,8H2,1H3.
What are the key properties of 1-(1,3-dioxolan-2-ylmethyl)-7-methyl-2-oxoquinoline-4-carbaldehyde?
1-(1,3-dioxolan-2-ylmethyl)-7-methyl-2-oxoquinoline-4-carbaldehyde has a molecular weight of 273.29 g/mol, XLogP of 1.50, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dioxolan-2-ylmethyl)-7-methyl-2-oxoquinoline-4-carbaldehyde is sourced from PubChem (CID 59397876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).