2-chloro-7,8-dimethylquinoline-3-carbaldehyde

C12H10ClNO — CID 788652

IUPAC2-chloro-7,8-dimethylquinoline-3-carbaldehyde
SMILESCc1ccc2cc(C=O)c(Cl)nc2c1C
InChIInChI=1S/C12H10ClNO/c1-7-3-4-9-5-10(6-15)12(13)14-11(9)8(7)2/h3-6H,1-2H3
InChIKeyISBVEHFRQCFGCD-UHFFFAOYSA-N
MW219.67 g/mol
LogP3.32
Rot. Bonds1

About 2-chloro-7,8-dimethylquinoline-3-carbaldehyde

2-chloro-7,8-dimethylquinoline-3-carbaldehyde (PubChem CID 788652) has the molecular formula C12H10ClNO and a molecular weight of 219.67 g/mol. Its IUPAC name is 2-chloro-7,8-dimethylquinoline-3-carbaldehyde.

Molecular Properties

Compound Name2-chloro-7,8-dimethylquinoline-3-carbaldehyde
PubChem CID788652
Molecular FormulaC12H10ClNO
Molecular Weight219.67 g/mol
Exact Mass219.05
IUPAC Name2-chloro-7,8-dimethylquinoline-3-carbaldehyde
SMILESCc1ccc2cc(C=O)c(Cl)nc2c1C
InChIInChI=1S/C12H10ClNO/c1-7-3-4-9-5-10(6-15)12(13)14-11(9)8(7)2/h3-6H,1-2H3
InChIKeyISBVEHFRQCFGCD-UHFFFAOYSA-N
XLogP3.32
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.67
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-7,8-dimethylquinoline-3-carbaldehyde?
The IUPAC name of 2-chloro-7,8-dimethylquinoline-3-carbaldehyde (CID 788652) is 2-chloro-7,8-dimethylquinoline-3-carbaldehyde.
What is the SMILES notation for 2-chloro-7,8-dimethylquinoline-3-carbaldehyde?
The canonical SMILES for 2-chloro-7,8-dimethylquinoline-3-carbaldehyde is Cc1ccc2cc(C=O)c(Cl)nc2c1C.
What is the InChIKey of 2-chloro-7,8-dimethylquinoline-3-carbaldehyde?
The InChIKey is ISBVEHFRQCFGCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNO/c1-7-3-4-9-5-10(6-15)12(13)14-11(9)8(7)2/h3-6H,1-2H3.
What are the key properties of 2-chloro-7,8-dimethylquinoline-3-carbaldehyde?
2-chloro-7,8-dimethylquinoline-3-carbaldehyde has a molecular weight of 219.67 g/mol, XLogP of 3.32, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-7,8-dimethylquinoline-3-carbaldehyde is sourced from PubChem (CID 788652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).