N-(4-chloro-2,5-dimethoxyphenyl)quinoline-8-carboxamide

C18H15ClN2O3 — CID 9362340

IUPACN-(4-chloro-2,5-dimethoxyphenyl)quinoline-8-carboxamide
SMILESCOc1cc(NC(=O)c2cccc3cccnc23)c(OC)cc1Cl
InChIInChI=1S/C18H15ClN2O3/c1-23-15-10-14(16(24-2)9-13(15)19)21-18(22)12-7-3-5-11-6-4-8-20-17(11)12/h3-10H,1-2H3,(H,21,22)
InChIKeyZOLFBMDMHYBSQF-UHFFFAOYSA-N
MW342.78 g/mol
LogP4.16
Rot. Bonds4

About N-(4-chloro-2,5-dimethoxyphenyl)quinoline-8-carboxamide

N-(4-chloro-2,5-dimethoxyphenyl)quinoline-8-carboxamide (PubChem CID 9362340) has the molecular formula C18H15ClN2O3 and a molecular weight of 342.78 g/mol. Its IUPAC name is N-(4-chloro-2,5-dimethoxyphenyl)quinoline-8-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2,5-dimethoxyphenyl)quinoline-8-carboxamide
PubChem CID9362340
Molecular FormulaC18H15ClN2O3
Molecular Weight342.78 g/mol
Exact Mass342.08
IUPAC NameN-(4-chloro-2,5-dimethoxyphenyl)quinoline-8-carboxamide
SMILESCOc1cc(NC(=O)c2cccc3cccnc23)c(OC)cc1Cl
InChIInChI=1S/C18H15ClN2O3/c1-23-15-10-14(16(24-2)9-13(15)19)21-18(22)12-7-3-5-11-6-4-8-20-17(11)12/h3-10H,1-2H3,(H,21,22)
InChIKeyZOLFBMDMHYBSQF-UHFFFAOYSA-N
XLogP4.16
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.78
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(4-chloro-2,5-dimethoxyphenyl)quinoline-8-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 N-(4-chloro-2,5-dimethoxyphenyl)quinoline-8-carboxamide?
The IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)quinoline-8-carboxamide (CID 9362340) is N-(4-chloro-2,5-dimethoxyphenyl)quinoline-8-carboxamide.
What is the SMILES notation for N-(4-chloro-2,5-dimethoxyphenyl)quinoline-8-carboxamide?
The canonical SMILES for N-(4-chloro-2,5-dimethoxyphenyl)quinoline-8-carboxamide is COc1cc(NC(=O)c2cccc3cccnc23)c(OC)cc1Cl.
What is the InChIKey of N-(4-chloro-2,5-dimethoxyphenyl)quinoline-8-carboxamide?
The InChIKey is ZOLFBMDMHYBSQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O3/c1-23-15-10-14(16(24-2)9-13(15)19)21-18(22)12-7-3-5-11-6-4-8-20-17(11)12/h3-10H,1-2H3,(H,21,22).
What are the key properties of N-(4-chloro-2,5-dimethoxyphenyl)quinoline-8-carboxamide?
N-(4-chloro-2,5-dimethoxyphenyl)quinoline-8-carboxamide has a molecular weight of 342.78 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2,5-dimethoxyphenyl)quinoline-8-carboxamide is sourced from PubChem (CID 9362340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).