7-chloro-1,4-dimethyl-2-oxoquinoline-3-carbaldehyde

C12H10ClNO2 — CID 84628273

IUPAC7-chloro-1,4-dimethyl-2-oxoquinoline-3-carbaldehyde
SMILESCc1c(C=O)c(=O)n(C)c2cc(Cl)ccc12
InChIInChI=1S/C12H10ClNO2/c1-7-9-4-3-8(13)5-11(9)14(2)12(16)10(7)6-15/h3-6H,1-2H3
InChIKeyZOBDJXYAZCCVOG-UHFFFAOYSA-N
MW235.67 g/mol
LogP2.31
Rot. Bonds1

About 7-chloro-1,4-dimethyl-2-oxoquinoline-3-carbaldehyde

7-chloro-1,4-dimethyl-2-oxoquinoline-3-carbaldehyde (PubChem CID 84628273) has the molecular formula C12H10ClNO2 and a molecular weight of 235.67 g/mol. Its IUPAC name is 7-chloro-1,4-dimethyl-2-oxoquinoline-3-carbaldehyde.

Molecular Properties

Compound Name7-chloro-1,4-dimethyl-2-oxoquinoline-3-carbaldehyde
PubChem CID84628273
Molecular FormulaC12H10ClNO2
Molecular Weight235.67 g/mol
Exact Mass235.04
IUPAC Name7-chloro-1,4-dimethyl-2-oxoquinoline-3-carbaldehyde
SMILESCc1c(C=O)c(=O)n(C)c2cc(Cl)ccc12
InChIInChI=1S/C12H10ClNO2/c1-7-9-4-3-8(13)5-11(9)14(2)12(16)10(7)6-15/h3-6H,1-2H3
InChIKeyZOBDJXYAZCCVOG-UHFFFAOYSA-N
XLogP2.31
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.67
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 7-chloro-1,4-dimethyl-2-oxoquinoline-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

7-fluoro-1,4-dimethyl-2-oxoquinoline-3-carbaldehyde
CID 84623265
7-chloro-1,4-dimethyl-3-propan-2-ylquinolin-2-one
CID 146630321
2,6-dichloro-1,3-dimethylindole
CID 117127818
(6-chloro-1,3-dimethylindol-2-yl)methanamine
CID 84621214
8-fluoro-1,4-dimethyl-2-oxoquinoline-3-carbaldehyde
CID 84623267
3-chloro-5-methyl-8-propan-2-ylphenanthridin-6-one
CID 178050308
1,4,5,7-tetramethyl-2-oxoquinoline-3-carbaldehyde
CID 84625850
7-chloro-1-methyl-2-oxoquinoline-4-sulfonyl chloride
CID 170733582
7-(3,4-dichlorophenoxy)-4-hydroxy-1-methyl-2-oxoquinoline-3-carbaldehyde
CID 166804674
1-butyl-2,6-dichloroindole-3-carbaldehyde
CID 82269726
5-chloro-2-ethyl-1-methylindole-3-carbaldehyde
CID 84687258
2-(6-chloro-1,3-dimethylindol-2-yl)propan-1-amine
CID 84628715

Frequently Asked Questions

What is the IUPAC name of 7-chloro-1,4-dimethyl-2-oxoquinoline-3-carbaldehyde?
The IUPAC name of 7-chloro-1,4-dimethyl-2-oxoquinoline-3-carbaldehyde (CID 84628273) is 7-chloro-1,4-dimethyl-2-oxoquinoline-3-carbaldehyde.
What is the SMILES notation for 7-chloro-1,4-dimethyl-2-oxoquinoline-3-carbaldehyde?
The canonical SMILES for 7-chloro-1,4-dimethyl-2-oxoquinoline-3-carbaldehyde is Cc1c(C=O)c(=O)n(C)c2cc(Cl)ccc12.
What is the InChIKey of 7-chloro-1,4-dimethyl-2-oxoquinoline-3-carbaldehyde?
The InChIKey is ZOBDJXYAZCCVOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNO2/c1-7-9-4-3-8(13)5-11(9)14(2)12(16)10(7)6-15/h3-6H,1-2H3.
What are the key properties of 7-chloro-1,4-dimethyl-2-oxoquinoline-3-carbaldehyde?
7-chloro-1,4-dimethyl-2-oxoquinoline-3-carbaldehyde has a molecular weight of 235.67 g/mol, XLogP of 2.31, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1,4-dimethyl-2-oxoquinoline-3-carbaldehyde is sourced from PubChem (CID 84628273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).