7-fluoro-6-[hydroxy-(3-methylphenyl)methyl]-3,4-dihydro-1H-quinolin-2-one

C17H16FNO2 — CID 61080892

IUPAC7-fluoro-6-[hydroxy-(3-methylphenyl)methyl]-3,4-dihydro-1H-quinolin-2-one
SMILESCc1cccc(C(O)c2cc3c(cc2F)NC(=O)CC3)c1
InChIInChI=1S/C17H16FNO2/c1-10-3-2-4-12(7-10)17(21)13-8-11-5-6-16(20)19-15(11)9-14(13)18/h2-4,7-9,17,21H,5-6H2,1H3,(H,19,20)
InChIKeyNXZFZRUOCZFRIL-UHFFFAOYSA-N
MW285.32 g/mol
LogP3.10
Rot. Bonds2

About 7-fluoro-6-[hydroxy-(3-methylphenyl)methyl]-3,4-dihydro-1H-quinolin-2-one

7-fluoro-6-[hydroxy-(3-methylphenyl)methyl]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 61080892) has the molecular formula C17H16FNO2 and a molecular weight of 285.32 g/mol. Its IUPAC name is 7-fluoro-6-[hydroxy-(3-methylphenyl)methyl]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name7-fluoro-6-[hydroxy-(3-methylphenyl)methyl]-3,4-dihydro-1H-quinolin-2-one
PubChem CID61080892
Molecular FormulaC17H16FNO2
Molecular Weight285.32 g/mol
Exact Mass285.12
IUPAC Name7-fluoro-6-[hydroxy-(3-methylphenyl)methyl]-3,4-dihydro-1H-quinolin-2-one
SMILESCc1cccc(C(O)c2cc3c(cc2F)NC(=O)CC3)c1
InChIInChI=1S/C17H16FNO2/c1-10-3-2-4-12(7-10)17(21)13-8-11-5-6-16(20)19-15(11)9-14(13)18/h2-4,7-9,17,21H,5-6H2,1H3,(H,19,20)
InChIKeyNXZFZRUOCZFRIL-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

Brefonalol
CID 65880
1-[2-Hydroxy-2-(6-hydroxy-biphenyl-3-yl)-1-methyl-ethyl]-4-phenyl-piperidin-4-ol
CID 12094039
6-(2-(4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl)-1-hydroxypropyl)-3,4-dihydroquinolin-2(1H)-one
CID 21303363
2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5H-phenanthridin-6-one
CID 25132505
4-hydroxy-6-methyl-3-phenyl-1H-quinolin-2-one
CID 54676589
7-Fluoro-2-oxo-1,2,3,4-tetrahydroquinoline-6-carboxylic acid
CID 43453281
6-(1-hydroxy-2-(4-hydroxy-4-p-tolylpiperidin-1-yl)propyl)-3,4-dihydroquinolin-2(1H)-one
CID 44442487
6-(2-(4-(3-fluorophenyl)-4-hydroxypiperidin-1-yl)-1-hydroxypropyl)-3,4-dihydroquinolin-2(1H)-one
CID 44442488
4-Hydroxy-6-methyl-3-benzylhydroquinolin-2-one
CID 54680870
2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-methyl-5H-phenanthridin-6-one
CID 145949340
4-fluoro-2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5H-phenanthridin-6-one
CID 145949365
9-fluoro-2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5H-phenanthridin-6-one
CID 145949374

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-6-[hydroxy-(3-methylphenyl)methyl]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 7-fluoro-6-[hydroxy-(3-methylphenyl)methyl]-3,4-dihydro-1H-quinolin-2-one (CID 61080892) is 7-fluoro-6-[hydroxy-(3-methylphenyl)methyl]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 7-fluoro-6-[hydroxy-(3-methylphenyl)methyl]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 7-fluoro-6-[hydroxy-(3-methylphenyl)methyl]-3,4-dihydro-1H-quinolin-2-one is Cc1cccc(C(O)c2cc3c(cc2F)NC(=O)CC3)c1.
What is the InChIKey of 7-fluoro-6-[hydroxy-(3-methylphenyl)methyl]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is NXZFZRUOCZFRIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO2/c1-10-3-2-4-12(7-10)17(21)13-8-11-5-6-16(20)19-15(11)9-14(13)18/h2-4,7-9,17,21H,5-6H2,1H3,(H,19,20).
What are the key properties of 7-fluoro-6-[hydroxy-(3-methylphenyl)methyl]-3,4-dihydro-1H-quinolin-2-one?
7-fluoro-6-[hydroxy-(3-methylphenyl)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 7-fluoro-6-[hydroxy-(3-methylphenyl)methyl]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 61080892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).