8-[(2-chloro-3-fluorophenyl)methoxy]-1,2,3,4-tetrahydroquinoline

C16H15ClFNO — CID 115984072

IUPAC8-[(2-chloro-3-fluorophenyl)methoxy]-1,2,3,4-tetrahydroquinoline
SMILESFc1cccc(COc2cccc3c2NCCC3)c1Cl
InChIInChI=1S/C16H15ClFNO/c17-15-12(5-1-7-13(15)18)10-20-14-8-2-4-11-6-3-9-19-16(11)14/h1-2,4-5,7-8,19H,3,6,9-10H2
InChIKeyPGKRKYALJDWNHQ-UHFFFAOYSA-N
MW291.75 g/mol
LogP4.42
Rot. Bonds3

About 8-[(2-chloro-3-fluorophenyl)methoxy]-1,2,3,4-tetrahydroquinoline

8-[(2-chloro-3-fluorophenyl)methoxy]-1,2,3,4-tetrahydroquinoline (PubChem CID 115984072) has the molecular formula C16H15ClFNO and a molecular weight of 291.75 g/mol. Its IUPAC name is 8-[(2-chloro-3-fluorophenyl)methoxy]-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name8-[(2-chloro-3-fluorophenyl)methoxy]-1,2,3,4-tetrahydroquinoline
PubChem CID115984072
Molecular FormulaC16H15ClFNO
Molecular Weight291.75 g/mol
Exact Mass291.08
IUPAC Name8-[(2-chloro-3-fluorophenyl)methoxy]-1,2,3,4-tetrahydroquinoline
SMILESFc1cccc(COc2cccc3c2NCCC3)c1Cl
InChIInChI=1S/C16H15ClFNO/c17-15-12(5-1-7-13(15)18)10-20-14-8-2-4-11-6-3-9-19-16(11)14/h1-2,4-5,7-8,19H,3,6,9-10H2
InChIKeyPGKRKYALJDWNHQ-UHFFFAOYSA-N
XLogP4.42
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.75
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

8-[(5-fluoro-2-methoxyphenyl)methoxy]-1,2,3,4-tetrahydroquinoline
CID 61027694
3-chloro-4-(1,2,3,4-tetrahydroquinolin-8-yloxymethyl)benzonitrile
CID 102669506
8-[(3-bromo-4-fluorophenyl)methoxy]-1,2,3,4-tetrahydroquinoline
CID 63423959
8-(2,2,2-trifluoroethoxy)-1,2,3,4-tetrahydroquinoline
CID 16781925
8-(2-fluoro-2-methylpropoxy)-1,2,3,4-tetrahydroquinoline
CID 115075715
2-fluoro-6-(1,2,3,4-tetrahydroquinolin-8-yloxy)benzonitrile
CID 61026238
8-(pyrazin-2-ylmethoxy)-1,2,3,4-tetrahydroquinoline
CID 54909301
3-methyl-5-(1,2,3,4-tetrahydroquinolin-8-yloxymethyl)-1,2-oxazole
CID 54909170
3-(1,2,3,4-tetrahydroquinolin-8-yloxy)propan-1-ol
CID 61027554
sodium 3-[2-fluoro-4-(1,2,3,4-tetrahydroquinolin-8-yloxymethyl)phenyl]propanoate
CID 59368663
2-chloro-1-fluoro-3-[(2-iodophenoxy)methyl]benzene
CID 112652323
5-[(2-chloro-3-fluorophenyl)methoxy]-3,4-dihydro-2H-naphthalen-1-one
CID 115982930

Frequently Asked Questions

What is the IUPAC name of 8-[(2-chloro-3-fluorophenyl)methoxy]-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 8-[(2-chloro-3-fluorophenyl)methoxy]-1,2,3,4-tetrahydroquinoline (CID 115984072) is 8-[(2-chloro-3-fluorophenyl)methoxy]-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 8-[(2-chloro-3-fluorophenyl)methoxy]-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 8-[(2-chloro-3-fluorophenyl)methoxy]-1,2,3,4-tetrahydroquinoline is Fc1cccc(COc2cccc3c2NCCC3)c1Cl.
What is the InChIKey of 8-[(2-chloro-3-fluorophenyl)methoxy]-1,2,3,4-tetrahydroquinoline?
The InChIKey is PGKRKYALJDWNHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFNO/c17-15-12(5-1-7-13(15)18)10-20-14-8-2-4-11-6-3-9-19-16(11)14/h1-2,4-5,7-8,19H,3,6,9-10H2.
What are the key properties of 8-[(2-chloro-3-fluorophenyl)methoxy]-1,2,3,4-tetrahydroquinoline?
8-[(2-chloro-3-fluorophenyl)methoxy]-1,2,3,4-tetrahydroquinoline has a molecular weight of 291.75 g/mol, XLogP of 4.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2-chloro-3-fluorophenyl)methoxy]-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 115984072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).