(2-fluoro-4-hydroxyphenyl)-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone

C17H16FNO2 — CID 107676699

IUPAC(2-fluoro-4-hydroxyphenyl)-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCC1Cc2ccccc2N(C(=O)c2ccc(O)cc2F)C1
InChIInChI=1S/C17H16FNO2/c1-11-8-12-4-2-3-5-16(12)19(10-11)17(21)14-7-6-13(20)9-15(14)18/h2-7,9,11,20H,8,10H2,1H3
InChIKeyJLQHUBQXTQFOFQ-UHFFFAOYSA-N
MW285.32 g/mol
LogP3.37
Rot. Bonds1

About (2-fluoro-4-hydroxyphenyl)-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone

(2-fluoro-4-hydroxyphenyl)-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone (PubChem CID 107676699) has the molecular formula C17H16FNO2 and a molecular weight of 285.32 g/mol. Its IUPAC name is (2-fluoro-4-hydroxyphenyl)-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone.

Molecular Properties

Compound Name(2-fluoro-4-hydroxyphenyl)-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
PubChem CID107676699
Molecular FormulaC17H16FNO2
Molecular Weight285.32 g/mol
Exact Mass285.12
IUPAC Name(2-fluoro-4-hydroxyphenyl)-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCC1Cc2ccccc2N(C(=O)c2ccc(O)cc2F)C1
InChIInChI=1S/C17H16FNO2/c1-11-8-12-4-2-3-5-16(12)19(10-11)17(21)14-7-6-13(20)9-15(14)18/h2-7,9,11,20H,8,10H2,1H3
InChIKeyJLQHUBQXTQFOFQ-UHFFFAOYSA-N
XLogP3.37
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-fluoro-4-hydroxyphenyl)-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
The IUPAC name of (2-fluoro-4-hydroxyphenyl)-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone (CID 107676699) is (2-fluoro-4-hydroxyphenyl)-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone.
What is the SMILES notation for (2-fluoro-4-hydroxyphenyl)-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
The canonical SMILES for (2-fluoro-4-hydroxyphenyl)-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone is CC1Cc2ccccc2N(C(=O)c2ccc(O)cc2F)C1.
What is the InChIKey of (2-fluoro-4-hydroxyphenyl)-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
The InChIKey is JLQHUBQXTQFOFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO2/c1-11-8-12-4-2-3-5-16(12)19(10-11)17(21)14-7-6-13(20)9-15(14)18/h2-7,9,11,20H,8,10H2,1H3.
What are the key properties of (2-fluoro-4-hydroxyphenyl)-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
(2-fluoro-4-hydroxyphenyl)-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone has a molecular weight of 285.32 g/mol, XLogP of 3.37, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-4-hydroxyphenyl)-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone is sourced from PubChem (CID 107676699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).