2,7-dimethoxyquinoline-3-carbaldehyde

C12H11NO3 — CID 3159668

IUPAC2,7-dimethoxyquinoline-3-carbaldehyde
SMILESCOc1ccc2cc(C=O)c(OC)nc2c1
InChIInChI=1S/C12H11NO3/c1-15-10-4-3-8-5-9(7-14)12(16-2)13-11(8)6-10/h3-7H,1-2H3
InChIKeyPQECIFGEZCZGSO-UHFFFAOYSA-N
MW217.22 g/mol
LogP2.06
Rot. Bonds3

About 2,7-dimethoxyquinoline-3-carbaldehyde

2,7-dimethoxyquinoline-3-carbaldehyde (PubChem CID 3159668) has the molecular formula C12H11NO3 and a molecular weight of 217.22 g/mol. Its IUPAC name is 2,7-dimethoxyquinoline-3-carbaldehyde.

Molecular Properties

Compound Name2,7-dimethoxyquinoline-3-carbaldehyde
PubChem CID3159668
Molecular FormulaC12H11NO3
Molecular Weight217.22 g/mol
Exact Mass217.07
IUPAC Name2,7-dimethoxyquinoline-3-carbaldehyde
SMILESCOc1ccc2cc(C=O)c(OC)nc2c1
InChIInChI=1S/C12H11NO3/c1-15-10-4-3-8-5-9(7-14)12(16-2)13-11(8)6-10/h3-7H,1-2H3
InChIKeyPQECIFGEZCZGSO-UHFFFAOYSA-N
XLogP2.06
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,7-dimethoxyquinoline-3-carbaldehyde?
The IUPAC name of 2,7-dimethoxyquinoline-3-carbaldehyde (CID 3159668) is 2,7-dimethoxyquinoline-3-carbaldehyde.
What is the SMILES notation for 2,7-dimethoxyquinoline-3-carbaldehyde?
The canonical SMILES for 2,7-dimethoxyquinoline-3-carbaldehyde is COc1ccc2cc(C=O)c(OC)nc2c1.
What is the InChIKey of 2,7-dimethoxyquinoline-3-carbaldehyde?
The InChIKey is PQECIFGEZCZGSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO3/c1-15-10-4-3-8-5-9(7-14)12(16-2)13-11(8)6-10/h3-7H,1-2H3.
What are the key properties of 2,7-dimethoxyquinoline-3-carbaldehyde?
2,7-dimethoxyquinoline-3-carbaldehyde has a molecular weight of 217.22 g/mol, XLogP of 2.06, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethoxyquinoline-3-carbaldehyde is sourced from PubChem (CID 3159668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).