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

C19H17FN2O2 — CID 118876141

IUPAC7-(4-aminophenyl)-1-cyclopropyl-6-fluoro-4-(hydroxymethyl)quinolin-2-one
SMILESNc1ccc(-c2cc3c(cc2F)c(CO)cc(=O)n3C2CC2)cc1
InChIInChI=1S/C19H17FN2O2/c20-17-8-16-12(10-23)7-19(24)22(14-5-6-14)18(16)9-15(17)11-1-3-13(21)4-2-11/h1-4,7-9,14,23H,5-6,10,21H2
InChIKeyMDEYJYWGFIVEPL-UHFFFAOYSA-N
MW324.36 g/mol
LogP3.22
Rot. Bonds3

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

7-(4-aminophenyl)-1-cyclopropyl-6-fluoro-4-(hydroxymethyl)quinolin-2-one (PubChem CID 118876141) has the molecular formula C19H17FN2O2 and a molecular weight of 324.36 g/mol. Its IUPAC name is 7-(4-aminophenyl)-1-cyclopropyl-6-fluoro-4-(hydroxymethyl)quinolin-2-one.

Molecular Properties

Compound Name7-(4-aminophenyl)-1-cyclopropyl-6-fluoro-4-(hydroxymethyl)quinolin-2-one
PubChem CID118876141
Molecular FormulaC19H17FN2O2
Molecular Weight324.36 g/mol
Exact Mass324.13
IUPAC Name7-(4-aminophenyl)-1-cyclopropyl-6-fluoro-4-(hydroxymethyl)quinolin-2-one
SMILESNc1ccc(-c2cc3c(cc2F)c(CO)cc(=O)n3C2CC2)cc1
InChIInChI=1S/C19H17FN2O2/c20-17-8-16-12(10-23)7-19(24)22(14-5-6-14)18(16)9-15(17)11-1-3-13(21)4-2-11/h1-4,7-9,14,23H,5-6,10,21H2
InChIKeyMDEYJYWGFIVEPL-UHFFFAOYSA-N
XLogP3.22
TPSA68.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 53.22
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

N-[4-[1-(dimethylamino)-1-(4-fluorophenyl)-4-hydroxybutyl]-3-(hydroxymethyl)phenyl]acetamide
CID 70272104
1-Cyclopropyl-6-fluoro-4-(hydroxymethyl)-7-(4-hydroxyphenyl)quinolin-2-one
CID 85470960
4-(Aminooxymethyl)-1-cyclopropyl-6-fluoro-7-(4-hydroxyphenyl)quinolin-2-one
CID 86300288
3-Amino-1-cyclopropyl-6-fluoro-4-(hydroxymethyl)-7-(4-hydroxyphenyl)quinolin-2-one
CID 86300289
1-cyclopropyl-6-fluoro-4-(1-hydroxyethyl)-7-(1-methyl-2,3-dihydro-1H-isoindol-5-yl)quinolin-2-one
CID 86300290
4-(Aminomethyl)-1-cyclopropyl-6-fluoro-7-(4-hydroxyphenyl)quinolin-2-one
CID 86300291
(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
5-[4-(dimethylamino)phenyl]-N-[2-(hydroxymethyl)phenyl]-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienamide
CID 91582594
[7-(4-Aminophenyl)-1-cyclobutyl-6-fluoro-2-oxoquinolin-4-yl]methyl propanoate
CID 117662890
(E)-3-[4-(4-aminophenyl)-5-fluoro-2-(methylamino)phenyl]-4-hydroxybut-2-enal
CID 117663044
N-[2-oxo-1-[[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]methyl]quinolin-6-yl]acetamide
CID 118428780

Frequently Asked Questions

What is the IUPAC name of 7-(4-aminophenyl)-1-cyclopropyl-6-fluoro-4-(hydroxymethyl)quinolin-2-one?
The IUPAC name of 7-(4-aminophenyl)-1-cyclopropyl-6-fluoro-4-(hydroxymethyl)quinolin-2-one (CID 118876141) is 7-(4-aminophenyl)-1-cyclopropyl-6-fluoro-4-(hydroxymethyl)quinolin-2-one.
What is the SMILES notation for 7-(4-aminophenyl)-1-cyclopropyl-6-fluoro-4-(hydroxymethyl)quinolin-2-one?
The canonical SMILES for 7-(4-aminophenyl)-1-cyclopropyl-6-fluoro-4-(hydroxymethyl)quinolin-2-one is Nc1ccc(-c2cc3c(cc2F)c(CO)cc(=O)n3C2CC2)cc1.
What is the InChIKey of 7-(4-aminophenyl)-1-cyclopropyl-6-fluoro-4-(hydroxymethyl)quinolin-2-one?
The InChIKey is MDEYJYWGFIVEPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O2/c20-17-8-16-12(10-23)7-19(24)22(14-5-6-14)18(16)9-15(17)11-1-3-13(21)4-2-11/h1-4,7-9,14,23H,5-6,10,21H2.
What are the key properties of 7-(4-aminophenyl)-1-cyclopropyl-6-fluoro-4-(hydroxymethyl)quinolin-2-one?
7-(4-aminophenyl)-1-cyclopropyl-6-fluoro-4-(hydroxymethyl)quinolin-2-one has a molecular weight of 324.36 g/mol, XLogP of 3.22, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-aminophenyl)-1-cyclopropyl-6-fluoro-4-(hydroxymethyl)quinolin-2-one is sourced from PubChem (CID 118876141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).