2,4-dichloro-6-methoxy-7-methylquinoline-3-carbaldehyde

C12H9Cl2NO2 — CID 145204236

IUPAC2,4-dichloro-6-methoxy-7-methylquinoline-3-carbaldehyde
SMILESCOc1cc2c(Cl)c(C=O)c(Cl)nc2cc1C
InChIInChI=1S/C12H9Cl2NO2/c1-6-3-9-7(4-10(6)17-2)11(13)8(5-16)12(14)15-9/h3-5H,1-2H3
InChIKeyJXRQSJOLFHSTDL-UHFFFAOYSA-N
MW270.12 g/mol
LogP3.67
Rot. Bonds2

About 2,4-dichloro-6-methoxy-7-methylquinoline-3-carbaldehyde

2,4-dichloro-6-methoxy-7-methylquinoline-3-carbaldehyde (PubChem CID 145204236) has the molecular formula C12H9Cl2NO2 and a molecular weight of 270.12 g/mol. Its IUPAC name is 2,4-dichloro-6-methoxy-7-methylquinoline-3-carbaldehyde.

Molecular Properties

Compound Name2,4-dichloro-6-methoxy-7-methylquinoline-3-carbaldehyde
PubChem CID145204236
Molecular FormulaC12H9Cl2NO2
Molecular Weight270.12 g/mol
Exact Mass269.00
IUPAC Name2,4-dichloro-6-methoxy-7-methylquinoline-3-carbaldehyde
SMILESCOc1cc2c(Cl)c(C=O)c(Cl)nc2cc1C
InChIInChI=1S/C12H9Cl2NO2/c1-6-3-9-7(4-10(6)17-2)11(13)8(5-16)12(14)15-9/h3-5H,1-2H3
InChIKeyJXRQSJOLFHSTDL-UHFFFAOYSA-N
XLogP3.67
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.12
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-7-methoxy-4-methylquinoline-3-carbaldehyde
CID 84628269
2,4-dichloroquinoline-3-carbaldehyde
CID 14920516
2-chloro-5,7-dimethoxy-4-methylquinoline-3-carbaldehyde
CID 84640028
4-chloro-2,7-dimethoxyquinoline-3-carbaldehyde
CID 174859471
4-chloro-7-fluoro-6-methoxy-2,3-dimethylquinoline
CID 103996653
2,4,7-trichloro-6-methoxy-3-nitroquinoline
CID 97181891
9-chloro-2,3-dimethoxy-7-methylacridine
CID 19749412
3-chloro-7-methoxy-6-methyl-1,2,4-benzotriazine
CID 90749385
2-chloro-6,7-dimethoxy-3-methylquinoline
CID 18524412
3-chloro-2,6-dimethoxybenzaldehyde
CID 15414486
6,7-dimethoxy-N,N,4-trimethylquinolin-2-amine
CID 135106538
3-chloro-6-hydroxy-2,4-dimethoxybenzaldehyde
CID 12652203

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-methoxy-7-methylquinoline-3-carbaldehyde?
The IUPAC name of 2,4-dichloro-6-methoxy-7-methylquinoline-3-carbaldehyde (CID 145204236) is 2,4-dichloro-6-methoxy-7-methylquinoline-3-carbaldehyde.
What is the SMILES notation for 2,4-dichloro-6-methoxy-7-methylquinoline-3-carbaldehyde?
The canonical SMILES for 2,4-dichloro-6-methoxy-7-methylquinoline-3-carbaldehyde is COc1cc2c(Cl)c(C=O)c(Cl)nc2cc1C.
What is the InChIKey of 2,4-dichloro-6-methoxy-7-methylquinoline-3-carbaldehyde?
The InChIKey is JXRQSJOLFHSTDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2NO2/c1-6-3-9-7(4-10(6)17-2)11(13)8(5-16)12(14)15-9/h3-5H,1-2H3.
What are the key properties of 2,4-dichloro-6-methoxy-7-methylquinoline-3-carbaldehyde?
2,4-dichloro-6-methoxy-7-methylquinoline-3-carbaldehyde has a molecular weight of 270.12 g/mol, XLogP of 3.67, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-methoxy-7-methylquinoline-3-carbaldehyde is sourced from PubChem (CID 145204236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).