4,8-dimethoxyquinoline-2-carbaldehyde

C12H11NO3 — CID 23125776

IUPAC4,8-dimethoxyquinoline-2-carbaldehyde
SMILESCOc1cc(C=O)nc2c(OC)cccc12
InChIInChI=1S/C12H11NO3/c1-15-10-5-3-4-9-11(16-2)6-8(7-14)13-12(9)10/h3-7H,1-2H3
InChIKeySAKWCCJMIRLRLP-UHFFFAOYSA-N
MW217.22 g/mol
LogP2.06
Rot. Bonds3

About 4,8-dimethoxyquinoline-2-carbaldehyde

4,8-dimethoxyquinoline-2-carbaldehyde (PubChem CID 23125776) has the molecular formula C12H11NO3 and a molecular weight of 217.22 g/mol. Its IUPAC name is 4,8-dimethoxyquinoline-2-carbaldehyde.

Molecular Properties

Compound Name4,8-dimethoxyquinoline-2-carbaldehyde
PubChem CID23125776
Molecular FormulaC12H11NO3
Molecular Weight217.22 g/mol
Exact Mass217.07
IUPAC Name4,8-dimethoxyquinoline-2-carbaldehyde
SMILESCOc1cc(C=O)nc2c(OC)cccc12
InChIInChI=1S/C12H11NO3/c1-15-10-5-3-4-9-11(16-2)6-8(7-14)13-12(9)10/h3-7H,1-2H3
InChIKeySAKWCCJMIRLRLP-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 4,8-dimethoxyquinoline-2-carbaldehyde?
The IUPAC name of 4,8-dimethoxyquinoline-2-carbaldehyde (CID 23125776) is 4,8-dimethoxyquinoline-2-carbaldehyde.
What is the SMILES notation for 4,8-dimethoxyquinoline-2-carbaldehyde?
The canonical SMILES for 4,8-dimethoxyquinoline-2-carbaldehyde is COc1cc(C=O)nc2c(OC)cccc12.
What is the InChIKey of 4,8-dimethoxyquinoline-2-carbaldehyde?
The InChIKey is SAKWCCJMIRLRLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO3/c1-15-10-5-3-4-9-11(16-2)6-8(7-14)13-12(9)10/h3-7H,1-2H3.
What are the key properties of 4,8-dimethoxyquinoline-2-carbaldehyde?
4,8-dimethoxyquinoline-2-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 4,8-dimethoxyquinoline-2-carbaldehyde is sourced from PubChem (CID 23125776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).