1-methyl-2-oxo-3,4-dihydroquinoline-7-carbaldehyde

C11H11NO2 — CID 83483627

IUPAC1-methyl-2-oxo-3,4-dihydroquinoline-7-carbaldehyde
SMILESCN1C(=O)CCc2ccc(C=O)cc21
InChIInChI=1S/C11H11NO2/c1-12-10-6-8(7-13)2-3-9(10)4-5-11(12)14/h2-3,6-7H,4-5H2,1H3
InChIKeyQWTWEEQUYJRSLE-UHFFFAOYSA-N
MW189.21 g/mol
LogP1.41
Rot. Bonds1

About 1-methyl-2-oxo-3,4-dihydroquinoline-7-carbaldehyde

1-methyl-2-oxo-3,4-dihydroquinoline-7-carbaldehyde (PubChem CID 83483627) has the molecular formula C11H11NO2 and a molecular weight of 189.21 g/mol. Its IUPAC name is 1-methyl-2-oxo-3,4-dihydroquinoline-7-carbaldehyde.

Molecular Properties

Compound Name1-methyl-2-oxo-3,4-dihydroquinoline-7-carbaldehyde
PubChem CID83483627
Molecular FormulaC11H11NO2
Molecular Weight189.21 g/mol
Exact Mass189.08
IUPAC Name1-methyl-2-oxo-3,4-dihydroquinoline-7-carbaldehyde
SMILESCN1C(=O)CCc2ccc(C=O)cc21
InChIInChI=1S/C11H11NO2/c1-12-10-6-8(7-13)2-3-9(10)4-5-11(12)14/h2-3,6-7H,4-5H2,1H3
InChIKeyQWTWEEQUYJRSLE-UHFFFAOYSA-N
XLogP1.41
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-methyl-2-oxo-3,4-dihydroquinoline-7-carbaldehyde?
The IUPAC name of 1-methyl-2-oxo-3,4-dihydroquinoline-7-carbaldehyde (CID 83483627) is 1-methyl-2-oxo-3,4-dihydroquinoline-7-carbaldehyde.
What is the SMILES notation for 1-methyl-2-oxo-3,4-dihydroquinoline-7-carbaldehyde?
The canonical SMILES for 1-methyl-2-oxo-3,4-dihydroquinoline-7-carbaldehyde is CN1C(=O)CCc2ccc(C=O)cc21.
What is the InChIKey of 1-methyl-2-oxo-3,4-dihydroquinoline-7-carbaldehyde?
The InChIKey is QWTWEEQUYJRSLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2/c1-12-10-6-8(7-13)2-3-9(10)4-5-11(12)14/h2-3,6-7H,4-5H2,1H3.
What are the key properties of 1-methyl-2-oxo-3,4-dihydroquinoline-7-carbaldehyde?
1-methyl-2-oxo-3,4-dihydroquinoline-7-carbaldehyde has a molecular weight of 189.21 g/mol, XLogP of 1.41, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-oxo-3,4-dihydroquinoline-7-carbaldehyde is sourced from PubChem (CID 83483627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).