8-[[2,6-dichloro-3-(1H-pyrrol-2-ylsulfonyl)phenyl]methoxy]-2-methylquinoline

C21H16Cl2N2O3S — CID 67694672

IUPAC8-[[2,6-dichloro-3-(1H-pyrrol-2-ylsulfonyl)phenyl]methoxy]-2-methylquinoline
SMILESCc1ccc2cccc(OCc3c(Cl)ccc(S(=O)(=O)c4ccc[nH]4)c3Cl)c2n1
InChIInChI=1S/C21H16Cl2N2O3S/c1-13-7-8-14-4-2-5-17(21(14)25-13)28-12-15-16(22)9-10-18(20(15)23)29(26,27)19-6-3-11-24-19/h2-11,24H,12H2,1H3
InChIKeyVGLMAEHIQYWFPW-UHFFFAOYSA-N
MW447.34 g/mol
LogP5.59
Rot. Bonds5

About 8-[[2,6-dichloro-3-(1H-pyrrol-2-ylsulfonyl)phenyl]methoxy]-2-methylquinoline

8-[[2,6-dichloro-3-(1H-pyrrol-2-ylsulfonyl)phenyl]methoxy]-2-methylquinoline (PubChem CID 67694672) has the molecular formula C21H16Cl2N2O3S and a molecular weight of 447.34 g/mol. Its IUPAC name is 8-[[2,6-dichloro-3-(1H-pyrrol-2-ylsulfonyl)phenyl]methoxy]-2-methylquinoline.

Molecular Properties

Compound Name8-[[2,6-dichloro-3-(1H-pyrrol-2-ylsulfonyl)phenyl]methoxy]-2-methylquinoline
PubChem CID67694672
Molecular FormulaC21H16Cl2N2O3S
Molecular Weight447.34 g/mol
Exact Mass446.03
IUPAC Name8-[[2,6-dichloro-3-(1H-pyrrol-2-ylsulfonyl)phenyl]methoxy]-2-methylquinoline
SMILESCc1ccc2cccc(OCc3c(Cl)ccc(S(=O)(=O)c4ccc[nH]4)c3Cl)c2n1
InChIInChI=1S/C21H16Cl2N2O3S/c1-13-7-8-14-4-2-5-17(21(14)25-13)28-12-15-16(22)9-10-18(20(15)23)29(26,27)19-6-3-11-24-19/h2-11,24H,12H2,1H3
InChIKeyVGLMAEHIQYWFPW-UHFFFAOYSA-N
XLogP5.59
TPSA72.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.34
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 8-[[2,6-dichloro-3-(1H-pyrrol-2-ylsulfonyl)phenyl]methoxy]-2-methylquinoline 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

2,4-dichloro-3-[(2-methylquinolin-8-yl)oxymethyl]aniline;dihydrochloride
CID 22113140
2,4-dichloro-N-ethyl-3-[(2-methylquinolin-8-yl)oxymethyl]aniline
CID 69109880
N'-[2,4-dichloro-3-[(2-methylquinolin-8-yl)oxymethyl]phenyl]ethane-1,2-diamine
CID 18321969
2,4-dichloro-3-[(2,4-dimethylquinolin-8-yl)oxymethyl]benzenesulfonic acid
CID 87616267
3-amino-N-[2,4-dichloro-3-[(2-methylquinolin-8-yl)oxymethyl]phenyl]-N-methylpropanamide
CID 19603427
8-[(2,6-dichloro-3-pyrrolidin-1-ylsulfonylphenyl)methoxy]-2,4-dimethylquinoline
CID 141160203
8-[(3,6-dichloro-2-pyridinyl)methoxy]-2-methylquinoline
CID 62886311
3-(dimethylamino)propyl (2S)-1-[2,4-dichloro-3-[(2-methylquinolin-8-yl)oxymethyl]phenyl]sulfonylpyrrolidine-2-carboxylate
CID 70256471
2-[[[2,4-dichloro-3-[(2-methylquinolin-8-yl)oxymethyl]phenyl]-methylcarbamoyl]amino]acetic acid
CID 19603415
2-[(2-bromoacetyl)amino]-N-[2,4-dichloro-3-[(2-methylquinolin-8-yl)oxymethyl]phenyl]-N-methylacetamide
CID 19603254
2,4-dichloro-N-[1-[4-(2,6-diaminohexanoyl)piperazin-1-yl]-2-methyl-1-oxopropan-2-yl]-3-[(2-methylquinolin-8-yl)oxymethyl]benzenesulfonamide
CID 85138080
4-[(2S)-1-[2,4-dichloro-3-[(2-methylquinolin-8-yl)oxymethyl]phenyl]sulfonylpyrrolidine-2-carbonyl]-N,N'-di(propan-2-yl)piperazine-1-carboximidamide;dihydrochloride
CID 20641612

Frequently Asked Questions

What is the IUPAC name of 8-[[2,6-dichloro-3-(1H-pyrrol-2-ylsulfonyl)phenyl]methoxy]-2-methylquinoline?
The IUPAC name of 8-[[2,6-dichloro-3-(1H-pyrrol-2-ylsulfonyl)phenyl]methoxy]-2-methylquinoline (CID 67694672) is 8-[[2,6-dichloro-3-(1H-pyrrol-2-ylsulfonyl)phenyl]methoxy]-2-methylquinoline.
What is the SMILES notation for 8-[[2,6-dichloro-3-(1H-pyrrol-2-ylsulfonyl)phenyl]methoxy]-2-methylquinoline?
The canonical SMILES for 8-[[2,6-dichloro-3-(1H-pyrrol-2-ylsulfonyl)phenyl]methoxy]-2-methylquinoline is Cc1ccc2cccc(OCc3c(Cl)ccc(S(=O)(=O)c4ccc[nH]4)c3Cl)c2n1.
What is the InChIKey of 8-[[2,6-dichloro-3-(1H-pyrrol-2-ylsulfonyl)phenyl]methoxy]-2-methylquinoline?
The InChIKey is VGLMAEHIQYWFPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16Cl2N2O3S/c1-13-7-8-14-4-2-5-17(21(14)25-13)28-12-15-16(22)9-10-18(20(15)23)29(26,27)19-6-3-11-24-19/h2-11,24H,12H2,1H3.
What are the key properties of 8-[[2,6-dichloro-3-(1H-pyrrol-2-ylsulfonyl)phenyl]methoxy]-2-methylquinoline?
8-[[2,6-dichloro-3-(1H-pyrrol-2-ylsulfonyl)phenyl]methoxy]-2-methylquinoline has a molecular weight of 447.34 g/mol, XLogP of 5.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[2,6-dichloro-3-(1H-pyrrol-2-ylsulfonyl)phenyl]methoxy]-2-methylquinoline is sourced from PubChem (CID 67694672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).