8-(3,5-dichlorophenyl)-4-(dimethylamino)quinoline-3-carboxylic acid;hydrochloride

C18H15Cl3N2O2 — CID 142605167

IUPAC8-(3,5-dichlorophenyl)-4-(dimethylamino)quinoline-3-carboxylic acid;hydrochloride
SMILESCN(C)c1c(C(=O)O)cnc2c(-c3cc(Cl)cc(Cl)c3)cccc12.Cl
InChIInChI=1S/C18H14Cl2N2O2.ClH/c1-22(2)17-14-5-3-4-13(10-6-11(19)8-12(20)7-10)16(14)21-9-15(17)18(23)24;/h3-9H,1-2H3,(H,23,24);1H
InChIKeyDBUHZWXSZIXTEU-UHFFFAOYSA-N
MW397.69 g/mol
LogP5.39
Rot. Bonds3

About 8-(3,5-dichlorophenyl)-4-(dimethylamino)quinoline-3-carboxylic acid;hydrochloride

8-(3,5-dichlorophenyl)-4-(dimethylamino)quinoline-3-carboxylic acid;hydrochloride (PubChem CID 142605167) has the molecular formula C18H15Cl3N2O2 and a molecular weight of 397.69 g/mol. Its IUPAC name is 8-(3,5-dichlorophenyl)-4-(dimethylamino)quinoline-3-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name8-(3,5-dichlorophenyl)-4-(dimethylamino)quinoline-3-carboxylic acid;hydrochloride
PubChem CID142605167
Molecular FormulaC18H15Cl3N2O2
Molecular Weight397.69 g/mol
Exact Mass396.02
IUPAC Name8-(3,5-dichlorophenyl)-4-(dimethylamino)quinoline-3-carboxylic acid;hydrochloride
SMILESCN(C)c1c(C(=O)O)cnc2c(-c3cc(Cl)cc(Cl)c3)cccc12.Cl
InChIInChI=1S/C18H14Cl2N2O2.ClH/c1-22(2)17-14-5-3-4-13(10-6-11(19)8-12(20)7-10)16(14)21-9-15(17)18(23)24;/h3-9H,1-2H3,(H,23,24);1H
InChIKeyDBUHZWXSZIXTEU-UHFFFAOYSA-N
XLogP5.39
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.69
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-(2,3-dichlorophenyl)-4-(dimethylamino)-7-fluoroquinoline-3-carboxylic acid
CID 156882069
4-(dimethylamino)-8-[2,3,4,5,6-pentakis(phenylmethoxycarbonyl)phenyl]quinoline-3-carboxylic acid
CID 138722739
methyl 8-(3,5-dichlorophenyl)-4-(dimethylamino)-1,7-naphthyridine-3-carboxylate
CID 162351959
8-(3,5-dichlorophenyl)-4-oxo-1H-quinoline-3-carboxylic acid
CID 134498075
4-chloro-8-methoxyquinoline-3-carboxylic acid;hydrochloride
CID 67617550
ethyl 4-chloro-8-phenylquinoline-3-carboxylate
CID 18549723
2-bromo-1-(4-chloro-8-phenylquinolin-3-yl)ethanone
CID 125472511
ethyl 8-(2,3-dichlorophenyl)-4-(dimethylamino)-7-fluoroquinoline-3-carboxylate
CID 156882033
pentabenzyl 6-[4-(dimethylamino)-3-ethoxycarbonylquinolin-8-yl]benzene-1,2,3,4,5-pentacarboxylate
CID 138722736
4-(azetidin-1-yl)-8-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]quinoline-3-carboxamide
CID 134511570
4-(dimethylamino)-8-(trifluoromethyl)quinoline-3-carbohydrazide
CID 43826491
8-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-propan-2-ylquinoline-3-carboxamide
CID 134502145

Frequently Asked Questions

What is the IUPAC name of 8-(3,5-dichlorophenyl)-4-(dimethylamino)quinoline-3-carboxylic acid;hydrochloride?
The IUPAC name of 8-(3,5-dichlorophenyl)-4-(dimethylamino)quinoline-3-carboxylic acid;hydrochloride (CID 142605167) is 8-(3,5-dichlorophenyl)-4-(dimethylamino)quinoline-3-carboxylic acid;hydrochloride.
What is the SMILES notation for 8-(3,5-dichlorophenyl)-4-(dimethylamino)quinoline-3-carboxylic acid;hydrochloride?
The canonical SMILES for 8-(3,5-dichlorophenyl)-4-(dimethylamino)quinoline-3-carboxylic acid;hydrochloride is CN(C)c1c(C(=O)O)cnc2c(-c3cc(Cl)cc(Cl)c3)cccc12.Cl.
What is the InChIKey of 8-(3,5-dichlorophenyl)-4-(dimethylamino)quinoline-3-carboxylic acid;hydrochloride?
The InChIKey is DBUHZWXSZIXTEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2N2O2.ClH/c1-22(2)17-14-5-3-4-13(10-6-11(19)8-12(20)7-10)16(14)21-9-15(17)18(23)24;/h3-9H,1-2H3,(H,23,24);1H.
What are the key properties of 8-(3,5-dichlorophenyl)-4-(dimethylamino)quinoline-3-carboxylic acid;hydrochloride?
8-(3,5-dichlorophenyl)-4-(dimethylamino)quinoline-3-carboxylic acid;hydrochloride has a molecular weight of 397.69 g/mol, XLogP of 5.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3,5-dichlorophenyl)-4-(dimethylamino)quinoline-3-carboxylic acid;hydrochloride is sourced from PubChem (CID 142605167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).