1-cyclopropyl-6-fluoro-4-(hydroxymethyl)-7-(1-methyl-2,3-dihydro-1H-isoindol-5-yl)quinolin-2-one

C22H21FN2O2 — CID 122523144

IUPAC1-cyclopropyl-6-fluoro-4-(hydroxymethyl)-7-(1-methyl-2,3-dihydro-1H-isoindol-5-yl)quinolin-2-one
SMILESCC1NCc2cc(-c3cc4c(cc3F)c(CO)cc(=O)n4C3CC3)ccc21
InChIInChI=1S/C22H21FN2O2/c1-12-17-5-2-13(6-14(17)10-24-12)18-9-21-19(8-20(18)23)15(11-26)7-22(27)25(21)16-3-4-16/h2,5-9,12,16,24,26H,3-4,10-11H2,1H3
InChIKeyCHQZKUNNXSLSCY-UHFFFAOYSA-N
MW364.42 g/mol
LogP3.80
Rot. Bonds3

About 1-cyclopropyl-6-fluoro-4-(hydroxymethyl)-7-(1-methyl-2,3-dihydro-1H-isoindol-5-yl)quinolin-2-one

1-cyclopropyl-6-fluoro-4-(hydroxymethyl)-7-(1-methyl-2,3-dihydro-1H-isoindol-5-yl)quinolin-2-one (PubChem CID 122523144) has the molecular formula C22H21FN2O2 and a molecular weight of 364.42 g/mol. Its IUPAC name is 1-cyclopropyl-6-fluoro-4-(hydroxymethyl)-7-(1-methyl-2,3-dihydro-1H-isoindol-5-yl)quinolin-2-one.

Molecular Properties

Compound Name1-cyclopropyl-6-fluoro-4-(hydroxymethyl)-7-(1-methyl-2,3-dihydro-1H-isoindol-5-yl)quinolin-2-one
PubChem CID122523144
Molecular FormulaC22H21FN2O2
Molecular Weight364.42 g/mol
Exact Mass364.16
IUPAC Name1-cyclopropyl-6-fluoro-4-(hydroxymethyl)-7-(1-methyl-2,3-dihydro-1H-isoindol-5-yl)quinolin-2-one
SMILESCC1NCc2cc(-c3cc4c(cc3F)c(CO)cc(=O)n4C3CC3)ccc21
InChIInChI=1S/C22H21FN2O2/c1-12-17-5-2-13(6-14(17)10-24-12)18-9-21-19(8-20(18)23)15(11-26)7-22(27)25(21)16-3-4-16/h2,5-9,12,16,24,26H,3-4,10-11H2,1H3
InChIKeyCHQZKUNNXSLSCY-UHFFFAOYSA-N
XLogP3.80
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-6-fluoro-4-(hydroxymethyl)-7-(1-methyl-2,3-dihydro-1H-isoindol-5-yl)quinolin-2-one?
The IUPAC name of 1-cyclopropyl-6-fluoro-4-(hydroxymethyl)-7-(1-methyl-2,3-dihydro-1H-isoindol-5-yl)quinolin-2-one (CID 122523144) is 1-cyclopropyl-6-fluoro-4-(hydroxymethyl)-7-(1-methyl-2,3-dihydro-1H-isoindol-5-yl)quinolin-2-one.
What is the SMILES notation for 1-cyclopropyl-6-fluoro-4-(hydroxymethyl)-7-(1-methyl-2,3-dihydro-1H-isoindol-5-yl)quinolin-2-one?
The canonical SMILES for 1-cyclopropyl-6-fluoro-4-(hydroxymethyl)-7-(1-methyl-2,3-dihydro-1H-isoindol-5-yl)quinolin-2-one is CC1NCc2cc(-c3cc4c(cc3F)c(CO)cc(=O)n4C3CC3)ccc21.
What is the InChIKey of 1-cyclopropyl-6-fluoro-4-(hydroxymethyl)-7-(1-methyl-2,3-dihydro-1H-isoindol-5-yl)quinolin-2-one?
The InChIKey is CHQZKUNNXSLSCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN2O2/c1-12-17-5-2-13(6-14(17)10-24-12)18-9-21-19(8-20(18)23)15(11-26)7-22(27)25(21)16-3-4-16/h2,5-9,12,16,24,26H,3-4,10-11H2,1H3.
What are the key properties of 1-cyclopropyl-6-fluoro-4-(hydroxymethyl)-7-(1-methyl-2,3-dihydro-1H-isoindol-5-yl)quinolin-2-one?
1-cyclopropyl-6-fluoro-4-(hydroxymethyl)-7-(1-methyl-2,3-dihydro-1H-isoindol-5-yl)quinolin-2-one has a molecular weight of 364.42 g/mol, XLogP of 3.80, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-6-fluoro-4-(hydroxymethyl)-7-(1-methyl-2,3-dihydro-1H-isoindol-5-yl)quinolin-2-one is sourced from PubChem (CID 122523144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).