5,7-dichloro-2-methylquinoline-4-carbaldehyde

C11H7Cl2NO — CID 82449422

IUPAC5,7-dichloro-2-methylquinoline-4-carbaldehyde
SMILESCc1cc(C=O)c2c(Cl)cc(Cl)cc2n1
InChIInChI=1S/C11H7Cl2NO/c1-6-2-7(5-15)11-9(13)3-8(12)4-10(11)14-6/h2-5H,1H3
InChIKeyGYKOZPSHGRDJLH-UHFFFAOYSA-N
MW240.09 g/mol
LogP3.66
Rot. Bonds1

About 5,7-dichloro-2-methylquinoline-4-carbaldehyde

5,7-dichloro-2-methylquinoline-4-carbaldehyde (PubChem CID 82449422) has the molecular formula C11H7Cl2NO and a molecular weight of 240.09 g/mol. Its IUPAC name is 5,7-dichloro-2-methylquinoline-4-carbaldehyde.

Molecular Properties

Compound Name5,7-dichloro-2-methylquinoline-4-carbaldehyde
PubChem CID82449422
Molecular FormulaC11H7Cl2NO
Molecular Weight240.09 g/mol
Exact Mass238.99
IUPAC Name5,7-dichloro-2-methylquinoline-4-carbaldehyde
SMILESCc1cc(C=O)c2c(Cl)cc(Cl)cc2n1
InChIInChI=1S/C11H7Cl2NO/c1-6-2-7(5-15)11-9(13)3-8(12)4-10(11)14-6/h2-5H,1H3
InChIKeyGYKOZPSHGRDJLH-UHFFFAOYSA-N
XLogP3.66
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.09
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-tert-butyl-5,7-dichloroquinoline-4-carbaldehyde
CID 82449470
5,7-dichloro-2-methylquinoline-4-carboxylate
CID 7200781
5-chloro-2,8-dimethylquinoline-4-carbaldehyde
CID 82573852
4-(5,7-dichloro-2-methylquinolin-4-yl)butan-1-amine
CID 82577818
5-chloro-2-methyl-1,3-benzothiazole-7-carbaldehyde
CID 83885669
N-[(5,7-dichloro-2-methylquinolin-4-yl)methyl]cyclopropanamine
CID 82449427
3-(5,7-dichloro-2-methylquinolin-4-yl)-2-methylpropan-1-amine
CID 82576903
4-(5,7-dichloro-2-methylquinolin-4-yl)-1,3-thiazol-2-amine
CID 82449443
2-bromo-5,7-dichloro-4-methylquinoline
CID 82581017
7,8-dichloro-2-methylquinoline-4-carbaldehyde
CID 82449304
2-chloro-6-(2,4,6-trichlorophenyl)pyridine-3-carbaldehyde
CID 119015935
4,5,6-trichloro-2-methylquinoline
CID 69171121

Frequently Asked Questions

What is the IUPAC name of 5,7-dichloro-2-methylquinoline-4-carbaldehyde?
The IUPAC name of 5,7-dichloro-2-methylquinoline-4-carbaldehyde (CID 82449422) is 5,7-dichloro-2-methylquinoline-4-carbaldehyde.
What is the SMILES notation for 5,7-dichloro-2-methylquinoline-4-carbaldehyde?
The canonical SMILES for 5,7-dichloro-2-methylquinoline-4-carbaldehyde is Cc1cc(C=O)c2c(Cl)cc(Cl)cc2n1.
What is the InChIKey of 5,7-dichloro-2-methylquinoline-4-carbaldehyde?
The InChIKey is GYKOZPSHGRDJLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl2NO/c1-6-2-7(5-15)11-9(13)3-8(12)4-10(11)14-6/h2-5H,1H3.
What are the key properties of 5,7-dichloro-2-methylquinoline-4-carbaldehyde?
5,7-dichloro-2-methylquinoline-4-carbaldehyde has a molecular weight of 240.09 g/mol, XLogP of 3.66, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dichloro-2-methylquinoline-4-carbaldehyde is sourced from PubChem (CID 82449422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).