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

C23H23FN2O2 — CID 86300290

IUPAC1-cyclopropyl-6-fluoro-4-(1-hydroxyethyl)-7-(1-methyl-2,3-dihydro-1H-isoindol-5-yl)quinolin-2-one
SMILESCC(O)c1cc(=O)n(C2CC2)c2cc(-c3ccc4c(c3)CNC4C)c(F)cc12
InChIInChI=1S/C23H23FN2O2/c1-12-17-6-3-14(7-15(17)11-25-12)19-9-22-20(8-21(19)24)18(13(2)27)10-23(28)26(22)16-4-5-16/h3,6-10,12-13,16,25,27H,4-5,11H2,1-2H3
InChIKeyCCFVYPFHKJVUPQ-UHFFFAOYSA-N
MW378.45 g/mol
LogP4.36
Rot. Bonds3

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

1-cyclopropyl-6-fluoro-4-(1-hydroxyethyl)-7-(1-methyl-2,3-dihydro-1H-isoindol-5-yl)quinolin-2-one (PubChem CID 86300290) has the molecular formula C23H23FN2O2 and a molecular weight of 378.45 g/mol. Its IUPAC name is 1-cyclopropyl-6-fluoro-4-(1-hydroxyethyl)-7-(1-methyl-2,3-dihydro-1H-isoindol-5-yl)quinolin-2-one.

Molecular Properties

Compound Name1-cyclopropyl-6-fluoro-4-(1-hydroxyethyl)-7-(1-methyl-2,3-dihydro-1H-isoindol-5-yl)quinolin-2-one
PubChem CID86300290
Molecular FormulaC23H23FN2O2
Molecular Weight378.45 g/mol
Exact Mass378.17
IUPAC Name1-cyclopropyl-6-fluoro-4-(1-hydroxyethyl)-7-(1-methyl-2,3-dihydro-1H-isoindol-5-yl)quinolin-2-one
SMILESCC(O)c1cc(=O)n(C2CC2)c2cc(-c3ccc4c(c3)CNC4C)c(F)cc12
InChIInChI=1S/C23H23FN2O2/c1-12-17-6-3-14(7-15(17)11-25-12)19-9-22-20(8-21(19)24)18(13(2)27)10-23(28)26(22)16-4-5-16/h3,6-10,12-13,16,25,27H,4-5,11H2,1-2H3
InChIKeyCCFVYPFHKJVUPQ-UHFFFAOYSA-N
XLogP4.36
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dimethylphenyl)-4-hydroxy-6-oxo-1,2-dihydro-6H-pyrrolo[3,2,1-ij]quinoline-5-carboxamide
CID 54676956
N-(2,5-dimethylphenyl)-4-hydroxy-6-oxo-1,2-dihydro-6H-pyrrolo[3,2,1-ij]quinoline-5-carboxamide
CID 54676959
5-[[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]-hydroxymethyl]-1H-pyridin-2-one
CID 22038276
5-Fluoro-3-[[4-[(8-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)methylamino]piperidin-1-yl]methyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-11-one
CID 59198356
1-[[(2R,5R)-1-[2-[6-[(4-fluorophenyl)-hydroxymethyl]-3,3-dimethyl-2H-indol-1-yl]-2-oxoethyl]-5-methylpiperazin-2-yl]methyl]-3,4-dimethyl-2H-pyrrol-5-one
CID 90126703
6-[(2R)-2-[2-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]phenyl]pyrrolidin-1-yl]-4-(trifluoromethyl)-1H-quinolin-2-one
CID 91196273
1-[[(2R,5R)-1-[2-[6-[(R)-(4-fluorophenyl)-hydroxymethyl]-3,3-dimethyl-2H-indol-1-yl]-2-oxoethyl]-5-methylpiperazin-2-yl]methyl]-3,4-dimethyl-2H-pyrrol-5-one
CID 118364285
1-[[1-[2-[6-[(4-fluorophenyl)-hydroxymethyl]-3,3-dimethyl-2H-indol-1-yl]-2-oxoethyl]-5-methylpiperazin-2-yl]methyl]-3,4-dimethyl-2H-pyrrol-5-one
CID 118364287
1-[[(2R,5R)-1-[2-[6-[(S)-(4-fluorophenyl)-hydroxymethyl]-3,3-dimethyl-2H-indol-1-yl]-2-oxoethyl]-5-methylpiperazin-2-yl]methyl]-3,4-dimethyl-2H-pyrrol-5-one
CID 118364305
7-(4-Aminophenyl)-1-cyclopropyl-6-fluoro-4-(hydroxymethyl)quinolin-2-one
CID 118876141
7-(4-Aminophenyl)-6-fluoro-4-(hydroxymethyl)-1-methylquinolin-2-one
CID 122523128
7-[4-(Aminomethyl)phenyl]-1-cyclopropyl-6-fluoro-4-(hydroxymethyl)quinolin-2-one
CID 122523139

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-6-fluoro-4-(1-hydroxyethyl)-7-(1-methyl-2,3-dihydro-1H-isoindol-5-yl)quinolin-2-one?
The IUPAC name of 1-cyclopropyl-6-fluoro-4-(1-hydroxyethyl)-7-(1-methyl-2,3-dihydro-1H-isoindol-5-yl)quinolin-2-one (CID 86300290) is 1-cyclopropyl-6-fluoro-4-(1-hydroxyethyl)-7-(1-methyl-2,3-dihydro-1H-isoindol-5-yl)quinolin-2-one.
What is the SMILES notation for 1-cyclopropyl-6-fluoro-4-(1-hydroxyethyl)-7-(1-methyl-2,3-dihydro-1H-isoindol-5-yl)quinolin-2-one?
The canonical SMILES for 1-cyclopropyl-6-fluoro-4-(1-hydroxyethyl)-7-(1-methyl-2,3-dihydro-1H-isoindol-5-yl)quinolin-2-one is CC(O)c1cc(=O)n(C2CC2)c2cc(-c3ccc4c(c3)CNC4C)c(F)cc12.
What is the InChIKey of 1-cyclopropyl-6-fluoro-4-(1-hydroxyethyl)-7-(1-methyl-2,3-dihydro-1H-isoindol-5-yl)quinolin-2-one?
The InChIKey is CCFVYPFHKJVUPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN2O2/c1-12-17-6-3-14(7-15(17)11-25-12)19-9-22-20(8-21(19)24)18(13(2)27)10-23(28)26(22)16-4-5-16/h3,6-10,12-13,16,25,27H,4-5,11H2,1-2H3.
What are the key properties of 1-cyclopropyl-6-fluoro-4-(1-hydroxyethyl)-7-(1-methyl-2,3-dihydro-1H-isoindol-5-yl)quinolin-2-one?
1-cyclopropyl-6-fluoro-4-(1-hydroxyethyl)-7-(1-methyl-2,3-dihydro-1H-isoindol-5-yl)quinolin-2-one has a molecular weight of 378.45 g/mol, XLogP of 4.36, 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-(1-hydroxyethyl)-7-(1-methyl-2,3-dihydro-1H-isoindol-5-yl)quinolin-2-one is sourced from PubChem (CID 86300290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).