1-[(2-chloro-4-fluorophenyl)methyl]-3,4-dihydro-2H-quinolin-4-ol

C16H15ClFNO — CID 114337631

IUPAC1-[(2-chloro-4-fluorophenyl)methyl]-3,4-dihydro-2H-quinolin-4-ol
SMILESOC1CCN(Cc2ccc(F)cc2Cl)c2ccccc21
InChIInChI=1S/C16H15ClFNO/c17-14-9-12(18)6-5-11(14)10-19-8-7-16(20)13-3-1-2-4-15(13)19/h1-6,9,16,20H,7-8,10H2
InChIKeyHGDXEZHPLCJHIT-UHFFFAOYSA-N
MW291.75 g/mol
LogP3.92
Rot. Bonds2

About 1-[(2-chloro-4-fluorophenyl)methyl]-3,4-dihydro-2H-quinolin-4-ol

1-[(2-chloro-4-fluorophenyl)methyl]-3,4-dihydro-2H-quinolin-4-ol (PubChem CID 114337631) has the molecular formula C16H15ClFNO and a molecular weight of 291.75 g/mol. Its IUPAC name is 1-[(2-chloro-4-fluorophenyl)methyl]-3,4-dihydro-2H-quinolin-4-ol.

Molecular Properties

Compound Name1-[(2-chloro-4-fluorophenyl)methyl]-3,4-dihydro-2H-quinolin-4-ol
PubChem CID114337631
Molecular FormulaC16H15ClFNO
Molecular Weight291.75 g/mol
Exact Mass291.08
IUPAC Name1-[(2-chloro-4-fluorophenyl)methyl]-3,4-dihydro-2H-quinolin-4-ol
SMILESOC1CCN(Cc2ccc(F)cc2Cl)c2ccccc21
InChIInChI=1S/C16H15ClFNO/c17-14-9-12(18)6-5-11(14)10-19-8-7-16(20)13-3-1-2-4-15(13)19/h1-6,9,16,20H,7-8,10H2
InChIKeyHGDXEZHPLCJHIT-UHFFFAOYSA-N
XLogP3.92
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.75
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-4-fluorophenyl)methyl]-3,4-dihydro-2H-quinolin-4-ol?
The IUPAC name of 1-[(2-chloro-4-fluorophenyl)methyl]-3,4-dihydro-2H-quinolin-4-ol (CID 114337631) is 1-[(2-chloro-4-fluorophenyl)methyl]-3,4-dihydro-2H-quinolin-4-ol.
What is the SMILES notation for 1-[(2-chloro-4-fluorophenyl)methyl]-3,4-dihydro-2H-quinolin-4-ol?
The canonical SMILES for 1-[(2-chloro-4-fluorophenyl)methyl]-3,4-dihydro-2H-quinolin-4-ol is OC1CCN(Cc2ccc(F)cc2Cl)c2ccccc21.
What is the InChIKey of 1-[(2-chloro-4-fluorophenyl)methyl]-3,4-dihydro-2H-quinolin-4-ol?
The InChIKey is HGDXEZHPLCJHIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFNO/c17-14-9-12(18)6-5-11(14)10-19-8-7-16(20)13-3-1-2-4-15(13)19/h1-6,9,16,20H,7-8,10H2.
What are the key properties of 1-[(2-chloro-4-fluorophenyl)methyl]-3,4-dihydro-2H-quinolin-4-ol?
1-[(2-chloro-4-fluorophenyl)methyl]-3,4-dihydro-2H-quinolin-4-ol has a molecular weight of 291.75 g/mol, XLogP of 3.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-4-fluorophenyl)methyl]-3,4-dihydro-2H-quinolin-4-ol is sourced from PubChem (CID 114337631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).