3-amino-1-cyclopropyl-6-fluoro-4-(hydroxymethyl)-7-(4-hydroxyphenyl)quinolin-2-one

C19H17FN2O3 — CID 86300289

IUPAC3-amino-1-cyclopropyl-6-fluoro-4-(hydroxymethyl)-7-(4-hydroxyphenyl)quinolin-2-one
SMILESNc1c(CO)c2cc(F)c(-c3ccc(O)cc3)cc2n(C2CC2)c1=O
InChIInChI=1S/C19H17FN2O3/c20-16-7-14-15(9-23)18(21)19(25)22(11-3-4-11)17(14)8-13(16)10-1-5-12(24)6-2-10/h1-2,5-8,11,23-24H,3-4,9,21H2
InChIKeyNEQVCVGGDVPODS-UHFFFAOYSA-N
MW340.35 g/mol
LogP2.92
Rot. Bonds3

About 3-amino-1-cyclopropyl-6-fluoro-4-(hydroxymethyl)-7-(4-hydroxyphenyl)quinolin-2-one

3-amino-1-cyclopropyl-6-fluoro-4-(hydroxymethyl)-7-(4-hydroxyphenyl)quinolin-2-one (PubChem CID 86300289) has the molecular formula C19H17FN2O3 and a molecular weight of 340.35 g/mol. Its IUPAC name is 3-amino-1-cyclopropyl-6-fluoro-4-(hydroxymethyl)-7-(4-hydroxyphenyl)quinolin-2-one.

Molecular Properties

Compound Name3-amino-1-cyclopropyl-6-fluoro-4-(hydroxymethyl)-7-(4-hydroxyphenyl)quinolin-2-one
PubChem CID86300289
Molecular FormulaC19H17FN2O3
Molecular Weight340.35 g/mol
Exact Mass340.12
IUPAC Name3-amino-1-cyclopropyl-6-fluoro-4-(hydroxymethyl)-7-(4-hydroxyphenyl)quinolin-2-one
SMILESNc1c(CO)c2cc(F)c(-c3ccc(O)cc3)cc2n(C2CC2)c1=O
InChIInChI=1S/C19H17FN2O3/c20-16-7-14-15(9-23)18(21)19(25)22(11-3-4-11)17(14)8-13(16)10-1-5-12(24)6-2-10/h1-2,5-8,11,23-24H,3-4,9,21H2
InChIKeyNEQVCVGGDVPODS-UHFFFAOYSA-N
XLogP2.92
TPSA88.48 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.35
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-fluoro-4-(hydroxymethyl)-7-(4-hydroxyphenyl)-1-methylquinolin-2-one
CID 122523129
5-cyclopropyl-7-[2,5-difluoro-4-(hydroxymethyl)phenyl]-[1,3]oxaborolo[4,5-c]quinolin-4-one
CID 144942095
5-cyclopropyl-8-fluoro-7-(4-methoxyphenyl)-[1,3]oxazolo[4,5-c]quinolin-4-one
CID 126717503
7-(2-aminopyrimidin-5-yl)-5-cyclopropyl-8-fluoro-[1,3]oxazolo[4,5-c]quinolin-4-one
CID 126717312
7-[4-(2-amino-3-hydroxypropyl)phenyl]-9-cyclopropyl-6-fluoro-[1,2]thiazolo[5,4-b]quinoline-3,4-dione
CID 58426840
9-cyclopropyl-6-fluoro-7-[4-(piperidin-1-ylmethyl)phenyl]-[1,2]thiazolo[5,4-b]quinoline-3,4-dione
CID 58426798
1-cyclopropyl-4-(hydroxymethyl)-7-(4-hydroxyphenyl)-8-methoxyquinolin-2-one
CID 118895376
N-[4-(9-cyclopropyl-6-fluoro-3,4-dioxothieno[2,3-b]quinolin-7-yl)phenyl]-2-(dimethylamino)acetamide
CID 143007752
4-(9-cyclopropyl-6-fluoro-3,4-dioxo-7-pyridin-4-yl-[1,2]thiazolo[5,4-b]quinolin-2-yl)butanoic acid
CID 58426906
ethyl 7-[4-(aminomethyl)phenyl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylate
CID 14515103
9-cyclopropyl-6,7-difluoro-3-hydroxy-2-methylthieno[2,3-b]quinolin-4-one
CID 58092837
3-amino-7-(4-amino-2,5-difluorophenyl)-1-cyclopropyl-4-methoxy-8-methylquinolin-2-one
CID 123192474

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-cyclopropyl-6-fluoro-4-(hydroxymethyl)-7-(4-hydroxyphenyl)quinolin-2-one?
The IUPAC name of 3-amino-1-cyclopropyl-6-fluoro-4-(hydroxymethyl)-7-(4-hydroxyphenyl)quinolin-2-one (CID 86300289) is 3-amino-1-cyclopropyl-6-fluoro-4-(hydroxymethyl)-7-(4-hydroxyphenyl)quinolin-2-one.
What is the SMILES notation for 3-amino-1-cyclopropyl-6-fluoro-4-(hydroxymethyl)-7-(4-hydroxyphenyl)quinolin-2-one?
The canonical SMILES for 3-amino-1-cyclopropyl-6-fluoro-4-(hydroxymethyl)-7-(4-hydroxyphenyl)quinolin-2-one is Nc1c(CO)c2cc(F)c(-c3ccc(O)cc3)cc2n(C2CC2)c1=O.
What is the InChIKey of 3-amino-1-cyclopropyl-6-fluoro-4-(hydroxymethyl)-7-(4-hydroxyphenyl)quinolin-2-one?
The InChIKey is NEQVCVGGDVPODS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O3/c20-16-7-14-15(9-23)18(21)19(25)22(11-3-4-11)17(14)8-13(16)10-1-5-12(24)6-2-10/h1-2,5-8,11,23-24H,3-4,9,21H2.
What are the key properties of 3-amino-1-cyclopropyl-6-fluoro-4-(hydroxymethyl)-7-(4-hydroxyphenyl)quinolin-2-one?
3-amino-1-cyclopropyl-6-fluoro-4-(hydroxymethyl)-7-(4-hydroxyphenyl)quinolin-2-one has a molecular weight of 340.35 g/mol, XLogP of 2.92, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-cyclopropyl-6-fluoro-4-(hydroxymethyl)-7-(4-hydroxyphenyl)quinolin-2-one is sourced from PubChem (CID 86300289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).