2-[(4-chloro-8-fluoroquinolin-7-yl)amino]-1-(2-fluorophenyl)ethanol

C17H13ClF2N2O — CID 133351591

IUPAC2-[(4-chloro-8-fluoroquinolin-7-yl)amino]-1-(2-fluorophenyl)ethanol
SMILESOC(CNc1ccc2c(Cl)ccnc2c1F)c1ccccc1F
InChIInChI=1S/C17H13ClF2N2O/c18-12-7-8-21-17-10(12)5-6-14(16(17)20)22-9-15(23)11-3-1-2-4-13(11)19/h1-8,15,22-23H,9H2
InChIKeyKWQFGRMEMHOFNV-UHFFFAOYSA-N
MW334.75 g/mol
LogP4.31
Rot. Bonds4

About 2-[(4-chloro-8-fluoroquinolin-7-yl)amino]-1-(2-fluorophenyl)ethanol

2-[(4-chloro-8-fluoroquinolin-7-yl)amino]-1-(2-fluorophenyl)ethanol (PubChem CID 133351591) has the molecular formula C17H13ClF2N2O and a molecular weight of 334.75 g/mol. Its IUPAC name is 2-[(4-chloro-8-fluoroquinolin-7-yl)amino]-1-(2-fluorophenyl)ethanol.

Molecular Properties

Compound Name2-[(4-chloro-8-fluoroquinolin-7-yl)amino]-1-(2-fluorophenyl)ethanol
PubChem CID133351591
Molecular FormulaC17H13ClF2N2O
Molecular Weight334.75 g/mol
Exact Mass334.07
IUPAC Name2-[(4-chloro-8-fluoroquinolin-7-yl)amino]-1-(2-fluorophenyl)ethanol
SMILESOC(CNc1ccc2c(Cl)ccnc2c1F)c1ccccc1F
InChIInChI=1S/C17H13ClF2N2O/c18-12-7-8-21-17-10(12)5-6-14(16(17)20)22-9-15(23)11-3-1-2-4-13(11)19/h1-8,15,22-23H,9H2
InChIKeyKWQFGRMEMHOFNV-UHFFFAOYSA-N
XLogP4.31
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.75
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(7-chloroquinolin-4-yl)amino]-1-(2-fluorophenyl)ethanol
CID 133351580
1-(2-chlorophenyl)-2-(2,3,4-trifluoroanilino)ethanol
CID 60896928
2-(2-chloro-4-methylanilino)-1-(2-fluorophenyl)ethanol
CID 60901932
2-[(5-chloro-2-pyridinyl)amino]-1-(2-fluorophenyl)ethanol
CID 133351470
1-(2-fluorophenyl)-2-[(5-nitroquinolin-8-yl)amino]ethanol
CID 133351529
2-(2,4-difluoroanilino)-1-(2-fluorophenyl)ethanol
CID 60901832
2-(2-bromo-5-chloroanilino)-1-(2-fluorophenyl)ethanol
CID 81279974
4-chloro-N-[(6-chloro-3-pyridinyl)methyl]-8-fluoroquinolin-7-amine
CID 133297743
N-[2-[(4-chloro-8-fluoroquinolin-7-yl)amino]ethyl]cyclopropanecarboxamide
CID 133305761
1-(2-fluorophenyl)-2-(3,4,5-trifluoroanilino)ethanol
CID 62810638
2-(5-chloro-2-fluoroanilino)-1-(2-chlorophenyl)ethanol
CID 60909294
4-chloro-8-fluoro-N-[2-(2-methylsulfonylethoxy)ethyl]quinolin-7-amine
CID 133354034

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-8-fluoroquinolin-7-yl)amino]-1-(2-fluorophenyl)ethanol?
The IUPAC name of 2-[(4-chloro-8-fluoroquinolin-7-yl)amino]-1-(2-fluorophenyl)ethanol (CID 133351591) is 2-[(4-chloro-8-fluoroquinolin-7-yl)amino]-1-(2-fluorophenyl)ethanol.
What is the SMILES notation for 2-[(4-chloro-8-fluoroquinolin-7-yl)amino]-1-(2-fluorophenyl)ethanol?
The canonical SMILES for 2-[(4-chloro-8-fluoroquinolin-7-yl)amino]-1-(2-fluorophenyl)ethanol is OC(CNc1ccc2c(Cl)ccnc2c1F)c1ccccc1F.
What is the InChIKey of 2-[(4-chloro-8-fluoroquinolin-7-yl)amino]-1-(2-fluorophenyl)ethanol?
The InChIKey is KWQFGRMEMHOFNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClF2N2O/c18-12-7-8-21-17-10(12)5-6-14(16(17)20)22-9-15(23)11-3-1-2-4-13(11)19/h1-8,15,22-23H,9H2.
What are the key properties of 2-[(4-chloro-8-fluoroquinolin-7-yl)amino]-1-(2-fluorophenyl)ethanol?
2-[(4-chloro-8-fluoroquinolin-7-yl)amino]-1-(2-fluorophenyl)ethanol has a molecular weight of 334.75 g/mol, XLogP of 4.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-8-fluoroquinolin-7-yl)amino]-1-(2-fluorophenyl)ethanol is sourced from PubChem (CID 133351591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).