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'}

Analyze 2-chloro-7,8-dimethylquinoline-3-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,7,8-trimethylquinoline-4-carbaldehyde
CID 82448404
7-chloro-2-(diethylamino)-8-methylquinoline-3-carbaldehyde
CID 20983137
5-chloro-2,8-dimethylquinoline-4-carbaldehyde
CID 82573852
8-benzyl-2-chloroquinoline-3-carbaldehyde
CID 18524035
6-chloro-2-methylquinoline-8-carbaldehyde
CID 82573777
7-chloro-8-methyl-2-piperidin-1-ylquinoline-3-carbaldehyde
CID 20983139
(NZ)-N-[(2-chloro-8-methylquinolin-3-yl)methylidene]hydroxylamine
CID 51857756
2-chloro-8-methyl-3-(2-nitroethenyl)quinoline
CID 53396799
3-(2-chloro-8-methylquinolin-3-yl)-2-fluoroprop-2-enoic acid
CID 79725824
3,7,8-trimethylquinolin-2-amine;hydrochloride
CID 43866004
2,7,8-trichloro-3-methylquinoline
CID 63232184
2-chloro-7,8-dimethyl-3-[(4-nitroimidazol-1-yl)methyl]quinoline
CID 24650163

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).