2-[8-[(2,6-dichlorobenzoyl)amino]-3-ethylquinolin-4-yl]acetic acid

C20H16Cl2N2O3 — CID 19592326

IUPAC2-[8-[(2,6-dichlorobenzoyl)amino]-3-ethylquinolin-4-yl]acetic acid
SMILESCCc1cnc2c(NC(=O)c3c(Cl)cccc3Cl)cccc2c1CC(=O)O
InChIInChI=1S/C20H16Cl2N2O3/c1-2-11-10-23-19-12(13(11)9-17(25)26)5-3-8-16(19)24-20(27)18-14(21)6-4-7-15(18)22/h3-8,10H,2,9H2,1H3,(H,24,27)(H,25,26)
InChIKeyVZAVUIMRSSNMHF-UHFFFAOYSA-N
MW403.27 g/mol
LogP4.98
Rot. Bonds5

About 2-[8-[(2,6-dichlorobenzoyl)amino]-3-ethylquinolin-4-yl]acetic acid

2-[8-[(2,6-dichlorobenzoyl)amino]-3-ethylquinolin-4-yl]acetic acid (PubChem CID 19592326) has the molecular formula C20H16Cl2N2O3 and a molecular weight of 403.27 g/mol. Its IUPAC name is 2-[8-[(2,6-dichlorobenzoyl)amino]-3-ethylquinolin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[8-[(2,6-dichlorobenzoyl)amino]-3-ethylquinolin-4-yl]acetic acid
PubChem CID19592326
Molecular FormulaC20H16Cl2N2O3
Molecular Weight403.27 g/mol
Exact Mass402.05
IUPAC Name2-[8-[(2,6-dichlorobenzoyl)amino]-3-ethylquinolin-4-yl]acetic acid
SMILESCCc1cnc2c(NC(=O)c3c(Cl)cccc3Cl)cccc2c1CC(=O)O
InChIInChI=1S/C20H16Cl2N2O3/c1-2-11-10-23-19-12(13(11)9-17(25)26)5-3-8-16(19)24-20(27)18-14(21)6-4-7-15(18)22/h3-8,10H,2,9H2,1H3,(H,24,27)(H,25,26)
InChIKeyVZAVUIMRSSNMHF-UHFFFAOYSA-N
XLogP4.98
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.27
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-(quinolin-8-yl)benzamide
CID 792771
2,4-dichloro-N-quinolin-8-ylbenzamide
CID 705779
2-(2,4-Dichlorophenyl)-2-oxoethyl 4-oxo-4-(quinolin-8-ylamino)butanoate
CID 1884485
US11116760, Example 239
CID 146614495
2-Chloro-5-(quinoline-5-carbonylamino)benzoic acid
CID 146600948
2,4,6-trichloro-N-quinolin-8-ylbenzamide
CID 16759542
2,6-dichloro-N-(4-chloro-6-fluoroquinolin-8-yl)benzamide
CID 19592489
2,6-dichloro-N-[4-chloro-6-(trifluoromethyl)quinolin-8-yl]benzamide
CID 19592918
2,6-dichloro-N-[6-fluoro-4-[2-(methylamino)ethylamino]quinolin-8-yl]benzamide
CID 19592924
Ethyl 4-[2-amino-2-oxo-1-[3-(trifluoromethyl)phenyl]ethyl]-8-[(2,6-dichlorobenzoyl)amino]quinoline-3-carboxylate
CID 69817538
Ethyl 8-[(2,6-dichlorobenzoyl)amino]-4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]quinoline-3-carboxylate
CID 69817539
2,6-dichloro-N-[6-fluoro-3-(methoxymethyl)-4-[2-(methylamino)ethylamino]quinolin-8-yl]benzamide
CID 139782433

Frequently Asked Questions

What is the IUPAC name of 2-[8-[(2,6-dichlorobenzoyl)amino]-3-ethylquinolin-4-yl]acetic acid?
The IUPAC name of 2-[8-[(2,6-dichlorobenzoyl)amino]-3-ethylquinolin-4-yl]acetic acid (CID 19592326) is 2-[8-[(2,6-dichlorobenzoyl)amino]-3-ethylquinolin-4-yl]acetic acid.
What is the SMILES notation for 2-[8-[(2,6-dichlorobenzoyl)amino]-3-ethylquinolin-4-yl]acetic acid?
The canonical SMILES for 2-[8-[(2,6-dichlorobenzoyl)amino]-3-ethylquinolin-4-yl]acetic acid is CCc1cnc2c(NC(=O)c3c(Cl)cccc3Cl)cccc2c1CC(=O)O.
What is the InChIKey of 2-[8-[(2,6-dichlorobenzoyl)amino]-3-ethylquinolin-4-yl]acetic acid?
The InChIKey is VZAVUIMRSSNMHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16Cl2N2O3/c1-2-11-10-23-19-12(13(11)9-17(25)26)5-3-8-16(19)24-20(27)18-14(21)6-4-7-15(18)22/h3-8,10H,2,9H2,1H3,(H,24,27)(H,25,26).
What are the key properties of 2-[8-[(2,6-dichlorobenzoyl)amino]-3-ethylquinolin-4-yl]acetic acid?
2-[8-[(2,6-dichlorobenzoyl)amino]-3-ethylquinolin-4-yl]acetic acid has a molecular weight of 403.27 g/mol, XLogP of 4.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-[(2,6-dichlorobenzoyl)amino]-3-ethylquinolin-4-yl]acetic acid is sourced from PubChem (CID 19592326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).