7-(4-aminophenyl)-6-fluoro-4-(hydroxymethyl)-1-methylquinolin-2-one

C17H15FN2O2 — CID 122523128

IUPAC7-(4-aminophenyl)-6-fluoro-4-(hydroxymethyl)-1-methylquinolin-2-one
SMILESCn1c(=O)cc(CO)c2cc(F)c(-c3ccc(N)cc3)cc21
InChIInChI=1S/C17H15FN2O2/c1-20-16-8-13(10-2-4-12(19)5-3-10)15(18)7-14(16)11(9-21)6-17(20)22/h2-8,21H,9,19H2,1H3
InChIKeyPCSLKOFHODKJAM-UHFFFAOYSA-N
MW298.32 g/mol
LogP2.42
Rot. Bonds2

About 7-(4-aminophenyl)-6-fluoro-4-(hydroxymethyl)-1-methylquinolin-2-one

7-(4-aminophenyl)-6-fluoro-4-(hydroxymethyl)-1-methylquinolin-2-one (PubChem CID 122523128) has the molecular formula C17H15FN2O2 and a molecular weight of 298.32 g/mol. Its IUPAC name is 7-(4-aminophenyl)-6-fluoro-4-(hydroxymethyl)-1-methylquinolin-2-one.

Molecular Properties

Compound Name7-(4-aminophenyl)-6-fluoro-4-(hydroxymethyl)-1-methylquinolin-2-one
PubChem CID122523128
Molecular FormulaC17H15FN2O2
Molecular Weight298.32 g/mol
Exact Mass298.11
IUPAC Name7-(4-aminophenyl)-6-fluoro-4-(hydroxymethyl)-1-methylquinolin-2-one
SMILESCn1c(=O)cc(CO)c2cc(F)c(-c3ccc(N)cc3)cc21
InChIInChI=1S/C17H15FN2O2/c1-20-16-8-13(10-2-4-12(19)5-3-10)15(18)7-14(16)11(9-21)6-17(20)22/h2-8,21H,9,19H2,1H3
InChIKeyPCSLKOFHODKJAM-UHFFFAOYSA-N
XLogP2.42
TPSA68.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-(hydroxymethyl)-1-methylquinolin-2(1H)-one
CID 45117440
5-(4-Fluorophenyl)-1-[2-(hydroxymethyl)phenyl]pyridin-2-one
CID 58051538
6-[4-(hydroxymethyl)phenyl]-4-(trifluoromethyl)-1H-quinolin-2-one
CID 67155551
4-(hydroxymethyl)-2-oxo-N-[3-(trifluoromethyl)phenyl]-1H-quinoline-3-carboxamide
CID 68186858
4-(hydroxymethyl)-2-oxo-N-[4-(trifluoromethyl)phenyl]-1H-quinoline-3-carboxamide
CID 68186864
N-(2,4-difluorophenyl)-5-ethyl-4-hydroxy-N,6-dimethyl-2-oxo-1H-quinoline-3-carboxamide
CID 70128801
N-[4-[1-(dimethylamino)-1-(4-fluorophenyl)-4-hydroxybutyl]-3-(hydroxymethyl)phenyl]acetamide
CID 70272104
N-[1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-2-oxoquinolin-6-yl]acetamide
CID 71812125
1-cyclopropyl-6-fluoro-4-(1-hydroxyethyl)-7-(1-methyl-2,3-dihydro-1H-isoindol-5-yl)quinolin-2-one
CID 86300290
(2E,4Z)-5-[4-(dimethylamino)phenyl]-N-[2-(hydroxymethyl)phenyl]-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienamide
CID 87599284
(2E,4E)-5-[4-(dimethylamino)phenyl]-N-[2-(hydroxymethyl)phenyl]-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienamide
CID 87599285
N-[3,5-bis(trifluoromethyl)phenyl]-4-(hydroxymethyl)-2-oxo-1H-quinoline-3-carboxamide
CID 88863659

Frequently Asked Questions

What is the IUPAC name of 7-(4-aminophenyl)-6-fluoro-4-(hydroxymethyl)-1-methylquinolin-2-one?
The IUPAC name of 7-(4-aminophenyl)-6-fluoro-4-(hydroxymethyl)-1-methylquinolin-2-one (CID 122523128) is 7-(4-aminophenyl)-6-fluoro-4-(hydroxymethyl)-1-methylquinolin-2-one.
What is the SMILES notation for 7-(4-aminophenyl)-6-fluoro-4-(hydroxymethyl)-1-methylquinolin-2-one?
The canonical SMILES for 7-(4-aminophenyl)-6-fluoro-4-(hydroxymethyl)-1-methylquinolin-2-one is Cn1c(=O)cc(CO)c2cc(F)c(-c3ccc(N)cc3)cc21.
What is the InChIKey of 7-(4-aminophenyl)-6-fluoro-4-(hydroxymethyl)-1-methylquinolin-2-one?
The InChIKey is PCSLKOFHODKJAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O2/c1-20-16-8-13(10-2-4-12(19)5-3-10)15(18)7-14(16)11(9-21)6-17(20)22/h2-8,21H,9,19H2,1H3.
What are the key properties of 7-(4-aminophenyl)-6-fluoro-4-(hydroxymethyl)-1-methylquinolin-2-one?
7-(4-aminophenyl)-6-fluoro-4-(hydroxymethyl)-1-methylquinolin-2-one has a molecular weight of 298.32 g/mol, XLogP of 2.42, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-aminophenyl)-6-fluoro-4-(hydroxymethyl)-1-methylquinolin-2-one is sourced from PubChem (CID 122523128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).