6-[(2-fluorophenyl)-hydroxymethyl]-8-methyl-3,4-dihydro-1H-quinolin-2-one

C17H16FNO2 — CID 82173975

IUPAC6-[(2-fluorophenyl)-hydroxymethyl]-8-methyl-3,4-dihydro-1H-quinolin-2-one
SMILESCc1cc(C(O)c2ccccc2F)cc2c1NC(=O)CC2
InChIInChI=1S/C17H16FNO2/c1-10-8-12(9-11-6-7-15(20)19-16(10)11)17(21)13-4-2-3-5-14(13)18/h2-5,8-9,17,21H,6-7H2,1H3,(H,19,20)
InChIKeyLBLLJVNUFNMKLG-UHFFFAOYSA-N
MW285.32 g/mol
LogP3.10
Rot. Bonds2

About 6-[(2-fluorophenyl)-hydroxymethyl]-8-methyl-3,4-dihydro-1H-quinolin-2-one

6-[(2-fluorophenyl)-hydroxymethyl]-8-methyl-3,4-dihydro-1H-quinolin-2-one (PubChem CID 82173975) has the molecular formula C17H16FNO2 and a molecular weight of 285.32 g/mol. Its IUPAC name is 6-[(2-fluorophenyl)-hydroxymethyl]-8-methyl-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[(2-fluorophenyl)-hydroxymethyl]-8-methyl-3,4-dihydro-1H-quinolin-2-one
PubChem CID82173975
Molecular FormulaC17H16FNO2
Molecular Weight285.32 g/mol
Exact Mass285.12
IUPAC Name6-[(2-fluorophenyl)-hydroxymethyl]-8-methyl-3,4-dihydro-1H-quinolin-2-one
SMILESCc1cc(C(O)c2ccccc2F)cc2c1NC(=O)CC2
InChIInChI=1S/C17H16FNO2/c1-10-8-12(9-11-6-7-15(20)19-16(10)11)17(21)13-4-2-3-5-14(13)18/h2-5,8-9,17,21H,6-7H2,1H3,(H,19,20)
InChIKeyLBLLJVNUFNMKLG-UHFFFAOYSA-N
XLogP3.10
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-fluoro-8-[(2-fluorophenyl)-hydroxymethyl]-3,4-dihydro-1H-quinolin-2-one
CID 82174281
5-[hydroxy-(2-methylphenyl)methyl]-7-methyl-1,3-dihydroindol-2-one
CID 82172747
3-ethyl-5-[(2-fluorophenyl)-hydroxymethyl]-7-methyl-1,3-dihydroindol-2-one
CID 82172845
6-chloro-8-[hydroxy-(2-methylphenyl)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 82174233
8-chloro-6-[hydroxy(phenyl)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 82174090
6-chloro-8-[hydroxy(phenyl)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 82174232
8-[(2-chlorophenyl)-hydroxymethyl]-6-methyl-3,4-dihydro-1H-quinolin-2-one
CID 82174159
5-[hydroxy-(4-methylphenyl)methyl]-7-methyl-1,3-dihydroindol-2-one
CID 82172749
7-ethyl-5-[hydroxy-(2-methylphenyl)methyl]-1,3-dihydroindol-2-one
CID 82172917
6-[chloro-(2-fluorophenyl)methyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 61086278
8-ethyl-6-[furan-2-yl(hydroxy)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 82174009
6-[amino(cyclohexyl)methyl]-8-methyl-3,4-dihydro-1H-quinolin-2-one
CID 82173951

Frequently Asked Questions

What is the IUPAC name of 6-[(2-fluorophenyl)-hydroxymethyl]-8-methyl-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[(2-fluorophenyl)-hydroxymethyl]-8-methyl-3,4-dihydro-1H-quinolin-2-one (CID 82173975) is 6-[(2-fluorophenyl)-hydroxymethyl]-8-methyl-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[(2-fluorophenyl)-hydroxymethyl]-8-methyl-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[(2-fluorophenyl)-hydroxymethyl]-8-methyl-3,4-dihydro-1H-quinolin-2-one is Cc1cc(C(O)c2ccccc2F)cc2c1NC(=O)CC2.
What is the InChIKey of 6-[(2-fluorophenyl)-hydroxymethyl]-8-methyl-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is LBLLJVNUFNMKLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO2/c1-10-8-12(9-11-6-7-15(20)19-16(10)11)17(21)13-4-2-3-5-14(13)18/h2-5,8-9,17,21H,6-7H2,1H3,(H,19,20).
What are the key properties of 6-[(2-fluorophenyl)-hydroxymethyl]-8-methyl-3,4-dihydro-1H-quinolin-2-one?
6-[(2-fluorophenyl)-hydroxymethyl]-8-methyl-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 285.32 g/mol, XLogP of 3.10, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-fluorophenyl)-hydroxymethyl]-8-methyl-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 82173975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).