5,7-dichloro-2-[(4-fluoroanilino)methyl]quinolin-8-olate

C16H10Cl2FN2O- — CID 142555231

IUPAC5,7-dichloro-2-[(4-fluoroanilino)methyl]quinolin-8-olate
SMILES[O-]c1c(Cl)cc(Cl)c2ccc(CNc3ccc(F)cc3)nc12
InChIInChI=1S/C16H11Cl2FN2O/c17-13-7-14(18)16(22)15-12(13)6-5-11(21-15)8-20-10-3-1-9(19)2-4-10/h1-7,20,22H,8H2/p-1
InChIKeyYQFDREKOZDQHBL-UHFFFAOYSA-M
MW336.17 g/mol
LogP4.37
Rot. Bonds3

About 5,7-dichloro-2-[(4-fluoroanilino)methyl]quinolin-8-olate

5,7-dichloro-2-[(4-fluoroanilino)methyl]quinolin-8-olate (PubChem CID 142555231) has the molecular formula C16H10Cl2FN2O- and a molecular weight of 336.17 g/mol. Its IUPAC name is 5,7-dichloro-2-[(4-fluoroanilino)methyl]quinolin-8-olate.

Molecular Properties

Compound Name5,7-dichloro-2-[(4-fluoroanilino)methyl]quinolin-8-olate
PubChem CID142555231
Molecular FormulaC16H10Cl2FN2O-
Molecular Weight336.17 g/mol
Exact Mass335.02
IUPAC Name5,7-dichloro-2-[(4-fluoroanilino)methyl]quinolin-8-olate
SMILES[O-]c1c(Cl)cc(Cl)c2ccc(CNc3ccc(F)cc3)nc12
InChIInChI=1S/C16H11Cl2FN2O/c17-13-7-14(18)16(22)15-12(13)6-5-11(21-15)8-20-10-3-1-9(19)2-4-10/h1-7,20,22H,8H2/p-1
InChIKeyYQFDREKOZDQHBL-UHFFFAOYSA-M
XLogP4.37
TPSA47.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.17
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-chloro-4-ethylphenyl)methyl]-4-fluoroaniline
CID 123969663
N-[[3,5-dichloro-4-[(4-chlorophenyl)methoxy]phenyl]methyl]-4-fluoroaniline
CID 126204543
4-fluoro-N-[2-(2,4,6-trichlorophenoxy)ethyl]aniline
CID 63506191
4-fluoro-N-[(4-fluorophenyl)methyl]aniline
CID 1133337
4-chloro-N-[(2-chloro-4-fluorophenyl)methyl]aniline
CID 30051350
5,7-dichloro-N-(4-fluorophenyl)-2-pyridin-2-ylquinolin-8-amine
CID 143696537
N-[(4-chlorothiophen-2-yl)methyl]-4-fluoroaniline
CID 79420119
tris(5,7-dichloroquinolin-8-olate);europium(3+)
CID 171040997
N-[[3,5-dichloro-4-[(4-fluorophenyl)methoxy]phenyl]methyl]aniline
CID 126122230
tris(5,7-dichloroquinolin-8-olate);terbium(3+);dihydrate
CID 71625723
4-fluoro-N-(imidazo[1,2-a]pyridin-2-ylmethyl)aniline
CID 759208
N-[(4-chloro-2-fluorophenyl)methyl]-6-fluoropyridin-3-amine
CID 102609742

Frequently Asked Questions

What is the IUPAC name of 5,7-dichloro-2-[(4-fluoroanilino)methyl]quinolin-8-olate?
The IUPAC name of 5,7-dichloro-2-[(4-fluoroanilino)methyl]quinolin-8-olate (CID 142555231) is 5,7-dichloro-2-[(4-fluoroanilino)methyl]quinolin-8-olate.
What is the SMILES notation for 5,7-dichloro-2-[(4-fluoroanilino)methyl]quinolin-8-olate?
The canonical SMILES for 5,7-dichloro-2-[(4-fluoroanilino)methyl]quinolin-8-olate is [O-]c1c(Cl)cc(Cl)c2ccc(CNc3ccc(F)cc3)nc12.
What is the InChIKey of 5,7-dichloro-2-[(4-fluoroanilino)methyl]quinolin-8-olate?
The InChIKey is YQFDREKOZDQHBL-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H11Cl2FN2O/c17-13-7-14(18)16(22)15-12(13)6-5-11(21-15)8-20-10-3-1-9(19)2-4-10/h1-7,20,22H,8H2/p-1.
What are the key properties of 5,7-dichloro-2-[(4-fluoroanilino)methyl]quinolin-8-olate?
5,7-dichloro-2-[(4-fluoroanilino)methyl]quinolin-8-olate has a molecular weight of 336.17 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dichloro-2-[(4-fluoroanilino)methyl]quinolin-8-olate is sourced from PubChem (CID 142555231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).