8-(2,3-dichlorophenyl)-4-(dimethylamino)-7-fluoroquinoline-3-carboxylic acid

C18H13Cl2FN2O2 — CID 156882069

IUPAC8-(2,3-dichlorophenyl)-4-(dimethylamino)-7-fluoroquinoline-3-carboxylic acid
SMILESCN(C)c1c(C(=O)O)cnc2c(-c3cccc(Cl)c3Cl)c(F)ccc12
InChIInChI=1S/C18H13Cl2FN2O2/c1-23(2)17-10-6-7-13(21)14(9-4-3-5-12(19)15(9)20)16(10)22-8-11(17)18(24)25/h3-8H,1-2H3,(H,24,25)
InChIKeyMDFCMMHFLJSDOV-UHFFFAOYSA-N
MW379.22 g/mol
LogP5.11
Rot. Bonds3

About 8-(2,3-dichlorophenyl)-4-(dimethylamino)-7-fluoroquinoline-3-carboxylic acid

8-(2,3-dichlorophenyl)-4-(dimethylamino)-7-fluoroquinoline-3-carboxylic acid (PubChem CID 156882069) has the molecular formula C18H13Cl2FN2O2 and a molecular weight of 379.22 g/mol. Its IUPAC name is 8-(2,3-dichlorophenyl)-4-(dimethylamino)-7-fluoroquinoline-3-carboxylic acid.

Molecular Properties

Compound Name8-(2,3-dichlorophenyl)-4-(dimethylamino)-7-fluoroquinoline-3-carboxylic acid
PubChem CID156882069
Molecular FormulaC18H13Cl2FN2O2
Molecular Weight379.22 g/mol
Exact Mass378.03
IUPAC Name8-(2,3-dichlorophenyl)-4-(dimethylamino)-7-fluoroquinoline-3-carboxylic acid
SMILESCN(C)c1c(C(=O)O)cnc2c(-c3cccc(Cl)c3Cl)c(F)ccc12
InChIInChI=1S/C18H13Cl2FN2O2/c1-23(2)17-10-6-7-13(21)14(9-4-3-5-12(19)15(9)20)16(10)22-8-11(17)18(24)25/h3-8H,1-2H3,(H,24,25)
InChIKeyMDFCMMHFLJSDOV-UHFFFAOYSA-N
XLogP5.11
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.22
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 8-(2,3-dichlorophenyl)-4-(dimethylamino)-7-fluoroquinoline-3-carboxylate
CID 156882033
8-(3,5-dichlorophenyl)-4-(dimethylamino)quinoline-3-carboxylic acid;hydrochloride
CID 142605167
4-(dimethylamino)-7-fluoro-8-[2,3,4,5,6-pentakis(phenylmethoxycarbonyl)phenyl]quinoline-3-carboxylic acid
CID 138722738
6-(2,3-dichlorophenyl)-7-fluoro-1-methylpyrrolo[3,2-c]quinolin-3-ol
CID 156882056
4-chloro-8-(2,3-dichlorophenyl)-1,6-naphthyridine-3-carboxylic acid
CID 175541558
ethyl 4-(dimethylamino)-7-fluoro-8-(2,3,5-trifluorophenyl)quinoline-3-carboxylate
CID 156881974
1-[4-(2,3-dichlorophenyl)-8-(dimethylamino)pyrido[3,2-c]pyridazin-7-yl]ethanone
CID 137391062
4-(2,3-dichlorophenyl)-8-(dimethylamino)pyrido[3,2-c]pyridazine-7-carboxamide
CID 137391063
4-(dimethylamino)-8-[2,3,4,5,6-pentakis(phenylmethoxycarbonyl)phenyl]quinoline-3-carboxylic acid
CID 138722739
3-(2,3-dichlorophenyl)-2-methylbenzoic acid
CID 53227646
2-(2,3-dichlorophenyl)-3-methylpyridine-4-carboxylic acid
CID 170837701
4,6,8-trichloroquinoline-3-carboxylic acid
CID 86810509

Frequently Asked Questions

What is the IUPAC name of 8-(2,3-dichlorophenyl)-4-(dimethylamino)-7-fluoroquinoline-3-carboxylic acid?
The IUPAC name of 8-(2,3-dichlorophenyl)-4-(dimethylamino)-7-fluoroquinoline-3-carboxylic acid (CID 156882069) is 8-(2,3-dichlorophenyl)-4-(dimethylamino)-7-fluoroquinoline-3-carboxylic acid.
What is the SMILES notation for 8-(2,3-dichlorophenyl)-4-(dimethylamino)-7-fluoroquinoline-3-carboxylic acid?
The canonical SMILES for 8-(2,3-dichlorophenyl)-4-(dimethylamino)-7-fluoroquinoline-3-carboxylic acid is CN(C)c1c(C(=O)O)cnc2c(-c3cccc(Cl)c3Cl)c(F)ccc12.
What is the InChIKey of 8-(2,3-dichlorophenyl)-4-(dimethylamino)-7-fluoroquinoline-3-carboxylic acid?
The InChIKey is MDFCMMHFLJSDOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl2FN2O2/c1-23(2)17-10-6-7-13(21)14(9-4-3-5-12(19)15(9)20)16(10)22-8-11(17)18(24)25/h3-8H,1-2H3,(H,24,25).
What are the key properties of 8-(2,3-dichlorophenyl)-4-(dimethylamino)-7-fluoroquinoline-3-carboxylic acid?
8-(2,3-dichlorophenyl)-4-(dimethylamino)-7-fluoroquinoline-3-carboxylic acid has a molecular weight of 379.22 g/mol, XLogP of 5.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,3-dichlorophenyl)-4-(dimethylamino)-7-fluoroquinoline-3-carboxylic acid is sourced from PubChem (CID 156882069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).