2-(3-chloro-4-fluorophenyl)-2-[(8-methoxy-2-methylquinolin-4-yl)amino]ethanol

C19H18ClFN2O2 — CID 166383018

IUPAC2-(3-chloro-4-fluorophenyl)-2-[(8-methoxy-2-methylquinolin-4-yl)amino]ethanol
SMILESCOc1cccc2c(NC(CO)c3ccc(F)c(Cl)c3)cc(C)nc12
InChIInChI=1S/C19H18ClFN2O2/c1-11-8-16(13-4-3-5-18(25-2)19(13)22-11)23-17(10-24)12-6-7-15(21)14(20)9-12/h3-9,17,24H,10H2,1-2H3,(H,22,23)
InChIKeyXQZPGNBEAUZXLA-UHFFFAOYSA-N
MW360.82 g/mol
LogP4.49
Rot. Bonds5

About 2-(3-chloro-4-fluorophenyl)-2-[(8-methoxy-2-methylquinolin-4-yl)amino]ethanol

2-(3-chloro-4-fluorophenyl)-2-[(8-methoxy-2-methylquinolin-4-yl)amino]ethanol (PubChem CID 166383018) has the molecular formula C19H18ClFN2O2 and a molecular weight of 360.82 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenyl)-2-[(8-methoxy-2-methylquinolin-4-yl)amino]ethanol.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenyl)-2-[(8-methoxy-2-methylquinolin-4-yl)amino]ethanol
PubChem CID166383018
Molecular FormulaC19H18ClFN2O2
Molecular Weight360.82 g/mol
Exact Mass360.10
IUPAC Name2-(3-chloro-4-fluorophenyl)-2-[(8-methoxy-2-methylquinolin-4-yl)amino]ethanol
SMILESCOc1cccc2c(NC(CO)c3ccc(F)c(Cl)c3)cc(C)nc12
InChIInChI=1S/C19H18ClFN2O2/c1-11-8-16(13-4-3-5-18(25-2)19(13)22-11)23-17(10-24)12-6-7-15(21)14(20)9-12/h3-9,17,24H,10H2,1-2H3,(H,22,23)
InChIKeyXQZPGNBEAUZXLA-UHFFFAOYSA-N
XLogP4.49
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.82
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(3-chloro-4-fluorophenyl)-2-[(8-methoxy-2-methylquinolin-4-yl)amino]ethanol with MolForge

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Related Compounds

4-[(8-methoxy-2-methylquinolin-4-yl)amino]-4-phenylbutan-1-ol
CID 133394349
2-(4,4-difluorocyclohexyl)-2-[(8-methoxy-2-methylquinolin-4-yl)amino]ethanol
CID 167774460
N-but-3-en-2-yl-8-methoxy-2-methylquinolin-4-amine
CID 133369005
N-(3-chlorophenyl)-8-methoxy-2-methylquinolin-4-amine
CID 23880571
N-[(2-chlorophenyl)methyl]-8-methoxy-2-methylquinolin-4-amine
CID 19900495
N-(3-chloro-4-methoxyphenyl)-8-methoxy-2-methylquinolin-4-amine
CID 798258
2-(3-chloro-4-methoxyphenyl)-2-(4-fluoroanilino)ethanol
CID 65026319
2-(3-chloroanilino)-2-(3-chloro-4-methoxyphenyl)ethanol
CID 65026318
N-(3,5-dimethoxyphenyl)-N'-(8-methoxy-2-methylquinolin-4-yl)ethane-1,2-diamine
CID 167828097
2-(3-chloro-5-fluorophenyl)-2-(2-methoxyanilino)ethanol
CID 114454325
2-(3,4-dichlorophenyl)-2-(3-methoxyanilino)ethanol
CID 61048677
2-(3-bromo-4-chlorophenyl)-2-(2-methoxyanilino)ethanol
CID 83230067

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenyl)-2-[(8-methoxy-2-methylquinolin-4-yl)amino]ethanol?
The IUPAC name of 2-(3-chloro-4-fluorophenyl)-2-[(8-methoxy-2-methylquinolin-4-yl)amino]ethanol (CID 166383018) is 2-(3-chloro-4-fluorophenyl)-2-[(8-methoxy-2-methylquinolin-4-yl)amino]ethanol.
What is the SMILES notation for 2-(3-chloro-4-fluorophenyl)-2-[(8-methoxy-2-methylquinolin-4-yl)amino]ethanol?
The canonical SMILES for 2-(3-chloro-4-fluorophenyl)-2-[(8-methoxy-2-methylquinolin-4-yl)amino]ethanol is COc1cccc2c(NC(CO)c3ccc(F)c(Cl)c3)cc(C)nc12.
What is the InChIKey of 2-(3-chloro-4-fluorophenyl)-2-[(8-methoxy-2-methylquinolin-4-yl)amino]ethanol?
The InChIKey is XQZPGNBEAUZXLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClFN2O2/c1-11-8-16(13-4-3-5-18(25-2)19(13)22-11)23-17(10-24)12-6-7-15(21)14(20)9-12/h3-9,17,24H,10H2,1-2H3,(H,22,23).
What are the key properties of 2-(3-chloro-4-fluorophenyl)-2-[(8-methoxy-2-methylquinolin-4-yl)amino]ethanol?
2-(3-chloro-4-fluorophenyl)-2-[(8-methoxy-2-methylquinolin-4-yl)amino]ethanol has a molecular weight of 360.82 g/mol, XLogP of 4.49, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenyl)-2-[(8-methoxy-2-methylquinolin-4-yl)amino]ethanol is sourced from PubChem (CID 166383018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).