6-chloro-2-methylquinoline-8-carbaldehyde

C11H8ClNO — CID 82573777

IUPAC6-chloro-2-methylquinoline-8-carbaldehyde
SMILESCc1ccc2cc(Cl)cc(C=O)c2n1
InChIInChI=1S/C11H8ClNO/c1-7-2-3-8-4-10(12)5-9(6-14)11(8)13-7/h2-6H,1H3
InChIKeyNBKKBYCQQHHOIM-UHFFFAOYSA-N
MW205.64 g/mol
LogP3.01
Rot. Bonds1

About 6-chloro-2-methylquinoline-8-carbaldehyde

6-chloro-2-methylquinoline-8-carbaldehyde (PubChem CID 82573777) has the molecular formula C11H8ClNO and a molecular weight of 205.64 g/mol. Its IUPAC name is 6-chloro-2-methylquinoline-8-carbaldehyde.

Molecular Properties

Compound Name6-chloro-2-methylquinoline-8-carbaldehyde
PubChem CID82573777
Molecular FormulaC11H8ClNO
Molecular Weight205.64 g/mol
Exact Mass205.03
IUPAC Name6-chloro-2-methylquinoline-8-carbaldehyde
SMILESCc1ccc2cc(Cl)cc(C=O)c2n1
InChIInChI=1S/C11H8ClNO/c1-7-2-3-8-4-10(12)5-9(6-14)11(8)13-7/h2-6H,1H3
InChIKeyNBKKBYCQQHHOIM-UHFFFAOYSA-N
XLogP3.01
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.64
LogP ≤ 53.01
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 6-chloro-2-methylquinoline-8-carbaldehyde?
The IUPAC name of 6-chloro-2-methylquinoline-8-carbaldehyde (CID 82573777) is 6-chloro-2-methylquinoline-8-carbaldehyde.
What is the SMILES notation for 6-chloro-2-methylquinoline-8-carbaldehyde?
The canonical SMILES for 6-chloro-2-methylquinoline-8-carbaldehyde is Cc1ccc2cc(Cl)cc(C=O)c2n1.
What is the InChIKey of 6-chloro-2-methylquinoline-8-carbaldehyde?
The InChIKey is NBKKBYCQQHHOIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClNO/c1-7-2-3-8-4-10(12)5-9(6-14)11(8)13-7/h2-6H,1H3.
What are the key properties of 6-chloro-2-methylquinoline-8-carbaldehyde?
6-chloro-2-methylquinoline-8-carbaldehyde has a molecular weight of 205.64 g/mol, XLogP of 3.01, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-methylquinoline-8-carbaldehyde is sourced from PubChem (CID 82573777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).