4-chloro-N,N-dimethylquinoline-7-carboxamide

C12H11ClN2O — CID 67304635

IUPAC4-chloro-N,N-dimethylquinoline-7-carboxamide
SMILESCN(C)C(=O)c1ccc2c(Cl)ccnc2c1
InChIInChI=1S/C12H11ClN2O/c1-15(2)12(16)8-3-4-9-10(13)5-6-14-11(9)7-8/h3-7H,1-2H3
InChIKeyOHLZWFPXBCKSOK-UHFFFAOYSA-N
MW234.69 g/mol
LogP2.59
Rot. Bonds1

About 4-chloro-N,N-dimethylquinoline-7-carboxamide

4-chloro-N,N-dimethylquinoline-7-carboxamide (PubChem CID 67304635) has the molecular formula C12H11ClN2O and a molecular weight of 234.69 g/mol. Its IUPAC name is 4-chloro-N,N-dimethylquinoline-7-carboxamide.

Molecular Properties

Compound Name4-chloro-N,N-dimethylquinoline-7-carboxamide
PubChem CID67304635
Molecular FormulaC12H11ClN2O
Molecular Weight234.69 g/mol
Exact Mass234.06
IUPAC Name4-chloro-N,N-dimethylquinoline-7-carboxamide
SMILESCN(C)C(=O)c1ccc2c(Cl)ccnc2c1
InChIInChI=1S/C12H11ClN2O/c1-15(2)12(16)8-3-4-9-10(13)5-6-14-11(9)7-8/h3-7H,1-2H3
InChIKeyOHLZWFPXBCKSOK-UHFFFAOYSA-N
XLogP2.59
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.69
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-chloro-N,N-dimethylquinoline-7-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N,N-dimethylquinoline-7-carboxamide?
The IUPAC name of 4-chloro-N,N-dimethylquinoline-7-carboxamide (CID 67304635) is 4-chloro-N,N-dimethylquinoline-7-carboxamide.
What is the SMILES notation for 4-chloro-N,N-dimethylquinoline-7-carboxamide?
The canonical SMILES for 4-chloro-N,N-dimethylquinoline-7-carboxamide is CN(C)C(=O)c1ccc2c(Cl)ccnc2c1.
What is the InChIKey of 4-chloro-N,N-dimethylquinoline-7-carboxamide?
The InChIKey is OHLZWFPXBCKSOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O/c1-15(2)12(16)8-3-4-9-10(13)5-6-14-11(9)7-8/h3-7H,1-2H3.
What are the key properties of 4-chloro-N,N-dimethylquinoline-7-carboxamide?
4-chloro-N,N-dimethylquinoline-7-carboxamide has a molecular weight of 234.69 g/mol, XLogP of 2.59, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N,N-dimethylquinoline-7-carboxamide is sourced from PubChem (CID 67304635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).