2-chloro-7-methoxy-4-methylquinoline-3-carbaldehyde

C12H10ClNO2 — CID 84628269

IUPAC2-chloro-7-methoxy-4-methylquinoline-3-carbaldehyde
SMILESCOc1ccc2c(C)c(C=O)c(Cl)nc2c1
InChIInChI=1S/C12H10ClNO2/c1-7-9-4-3-8(16-2)5-11(9)14-12(13)10(7)6-15/h3-6H,1-2H3
InChIKeyPIHBYECNYAIZTG-UHFFFAOYSA-N
MW235.67 g/mol
LogP3.02
Rot. Bonds2

About 2-chloro-7-methoxy-4-methylquinoline-3-carbaldehyde

2-chloro-7-methoxy-4-methylquinoline-3-carbaldehyde (PubChem CID 84628269) has the molecular formula C12H10ClNO2 and a molecular weight of 235.67 g/mol. Its IUPAC name is 2-chloro-7-methoxy-4-methylquinoline-3-carbaldehyde.

Molecular Properties

Compound Name2-chloro-7-methoxy-4-methylquinoline-3-carbaldehyde
PubChem CID84628269
Molecular FormulaC12H10ClNO2
Molecular Weight235.67 g/mol
Exact Mass235.04
IUPAC Name2-chloro-7-methoxy-4-methylquinoline-3-carbaldehyde
SMILESCOc1ccc2c(C)c(C=O)c(Cl)nc2c1
InChIInChI=1S/C12H10ClNO2/c1-7-9-4-3-8(16-2)5-11(9)14-12(13)10(7)6-15/h3-6H,1-2H3
InChIKeyPIHBYECNYAIZTG-UHFFFAOYSA-N
XLogP3.02
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.67
LogP ≤ 53.02
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

4-chloro-2,7-dimethoxyquinoline-3-carbaldehyde
CID 174859471
2-chloro-5,7-dimethoxy-4-methylquinoline-3-carbaldehyde
CID 84640028
7-methoxy-2-methylquinazoline-4-carbaldehyde
CID 105454201
2,4-dichloro-6-methoxy-7-methylquinoline-3-carbaldehyde
CID 145204236
6-methoxy-2-methylsulfonylnaphthalene-1-carbaldehyde
CID 141001617
7-methoxy-4-methylquinolin-2-amine
CID 53485904
4-chloro-7-methoxy-2-propan-2-ylquinazoline
CID 106584178
ethyl 2-bromo-4-chloro-7-methoxyquinoline-3-carboxylate
CID 139213813
4-chloro-2-(2,3-dimethylphenyl)-7-methoxyquinazoline
CID 114590549
7-methoxyquinazoline-4-carbaldehyde
CID 105442986
7-methoxy-N,4-dimethylquinolin-2-amine
CID 84619850
2,6-dimethoxynaphthalene-1-carbaldehyde
CID 12583354

Frequently Asked Questions

What is the IUPAC name of 2-chloro-7-methoxy-4-methylquinoline-3-carbaldehyde?
The IUPAC name of 2-chloro-7-methoxy-4-methylquinoline-3-carbaldehyde (CID 84628269) is 2-chloro-7-methoxy-4-methylquinoline-3-carbaldehyde.
What is the SMILES notation for 2-chloro-7-methoxy-4-methylquinoline-3-carbaldehyde?
The canonical SMILES for 2-chloro-7-methoxy-4-methylquinoline-3-carbaldehyde is COc1ccc2c(C)c(C=O)c(Cl)nc2c1.
What is the InChIKey of 2-chloro-7-methoxy-4-methylquinoline-3-carbaldehyde?
The InChIKey is PIHBYECNYAIZTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNO2/c1-7-9-4-3-8(16-2)5-11(9)14-12(13)10(7)6-15/h3-6H,1-2H3.
What are the key properties of 2-chloro-7-methoxy-4-methylquinoline-3-carbaldehyde?
2-chloro-7-methoxy-4-methylquinoline-3-carbaldehyde has a molecular weight of 235.67 g/mol, XLogP of 3.02, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-7-methoxy-4-methylquinoline-3-carbaldehyde is sourced from PubChem (CID 84628269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).