1-cyclopropyl-6-fluoro-8-(fluoromethoxy)-7-(2-methyl-1,3-dihydroisoindol-5-yl)quinolin-4-one

C22H20F2N2O2 — CID 67696493

IUPAC1-cyclopropyl-6-fluoro-8-(fluoromethoxy)-7-(2-methyl-1,3-dihydroisoindol-5-yl)quinolin-4-one
SMILESCN1Cc2ccc(-c3c(F)cc4c(=O)ccn(C5CC5)c4c3OCF)cc2C1
InChIInChI=1S/C22H20F2N2O2/c1-25-10-14-3-2-13(8-15(14)11-25)20-18(24)9-17-19(27)6-7-26(16-4-5-16)21(17)22(20)28-12-23/h2-3,6-9,16H,4-5,10-12H2,1H3
InChIKeyPVBIADANTYOAKI-UHFFFAOYSA-N
MW382.41 g/mol
LogP4.39
Rot. Bonds4

About 1-cyclopropyl-6-fluoro-8-(fluoromethoxy)-7-(2-methyl-1,3-dihydroisoindol-5-yl)quinolin-4-one

1-cyclopropyl-6-fluoro-8-(fluoromethoxy)-7-(2-methyl-1,3-dihydroisoindol-5-yl)quinolin-4-one (PubChem CID 67696493) has the molecular formula C22H20F2N2O2 and a molecular weight of 382.41 g/mol. Its IUPAC name is 1-cyclopropyl-6-fluoro-8-(fluoromethoxy)-7-(2-methyl-1,3-dihydroisoindol-5-yl)quinolin-4-one.

Molecular Properties

Compound Name1-cyclopropyl-6-fluoro-8-(fluoromethoxy)-7-(2-methyl-1,3-dihydroisoindol-5-yl)quinolin-4-one
PubChem CID67696493
Molecular FormulaC22H20F2N2O2
Molecular Weight382.41 g/mol
Exact Mass382.15
IUPAC Name1-cyclopropyl-6-fluoro-8-(fluoromethoxy)-7-(2-methyl-1,3-dihydroisoindol-5-yl)quinolin-4-one
SMILESCN1Cc2ccc(-c3c(F)cc4c(=O)ccn(C5CC5)c4c3OCF)cc2C1
InChIInChI=1S/C22H20F2N2O2/c1-25-10-14-3-2-13(8-15(14)11-25)20-18(24)9-17-19(27)6-7-26(16-4-5-16)21(17)22(20)28-12-23/h2-3,6-9,16H,4-5,10-12H2,1H3
InChIKeyPVBIADANTYOAKI-UHFFFAOYSA-N
XLogP4.39
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.41
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-cyclopropyl-6-fluoro-8-(fluoromethoxy)-7-(2-methyl-1,3-dihydroisoindol-5-yl)quinolin-4-one with MolForge

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Related Compounds

1-ethyl-6-fluoro-8-(fluoromethoxy)-7-(2-methyl-1,3-dihydroisoindol-5-yl)-4-oxoquinoline-3-carboxylic acid
CID 21220388
8-chloro-1-cyclopropyl-6-fluoro-7-(2-methyl-1,3-dihydroisoindol-5-yl)-4-oxoquinoline-3-carboxylic acid
CID 21220310
1-cyclopropyl-7-(2,3-dihydro-1H-isoindol-5-yl)-6-fluoro-8-(fluoromethoxy)-4-oxoquinoline-3-carboxylic acid
CID 21220452
1-cyclopropyl-6-fluoro-7-(2-methyl-1,3-dihydroisoindol-5-yl)-4-oxo-8-(trifluoromethyl)quinoline-3-carboxylic acid
CID 21220369
1-cyclopropyl-6,8-difluoro-7-[2-(methylaminomethyl)pyrrolidin-1-yl]quinolin-4-one
CID 70373793
1-cyclopropyl-7-fluoro-8-methoxyquinolin-4-one
CID 91606345
1-cyclopropyl-7-(3,4-dimethylpiperazin-1-yl)-6-fluoro-8-methoxyquinolin-4-one
CID 141465686
ethyl 1-cyclopropyl-6-fluoro-8-methoxy-7-[2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindol-5-yl]-4-oxoquinoline-3-carboxylate
CID 15870843
1-cyclopropyl-7-[3-(ethylaminomethyl)pyrrolidin-1-yl]-6,8-difluoroquinolin-4-one
CID 67836130
7-[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-1-cyclopropyl-6-fluoro-8-methoxyquinolin-4-one
CID 56673587
6-fluoro-1-(4-hydroxyphenyl)-8-methoxy-7-(2-methyl-1,3-dihydroisoindol-5-yl)-4-oxoquinoline-3-carboxylic acid
CID 21220335
7-[4-[2-[benzyl(methyl)amino]-1-fluoroethylidene]piperidin-1-yl]-1-cyclopropyl-8-(difluoromethoxy)-6-fluoroquinolin-4-one
CID 68799869

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-6-fluoro-8-(fluoromethoxy)-7-(2-methyl-1,3-dihydroisoindol-5-yl)quinolin-4-one?
The IUPAC name of 1-cyclopropyl-6-fluoro-8-(fluoromethoxy)-7-(2-methyl-1,3-dihydroisoindol-5-yl)quinolin-4-one (CID 67696493) is 1-cyclopropyl-6-fluoro-8-(fluoromethoxy)-7-(2-methyl-1,3-dihydroisoindol-5-yl)quinolin-4-one.
What is the SMILES notation for 1-cyclopropyl-6-fluoro-8-(fluoromethoxy)-7-(2-methyl-1,3-dihydroisoindol-5-yl)quinolin-4-one?
The canonical SMILES for 1-cyclopropyl-6-fluoro-8-(fluoromethoxy)-7-(2-methyl-1,3-dihydroisoindol-5-yl)quinolin-4-one is CN1Cc2ccc(-c3c(F)cc4c(=O)ccn(C5CC5)c4c3OCF)cc2C1.
What is the InChIKey of 1-cyclopropyl-6-fluoro-8-(fluoromethoxy)-7-(2-methyl-1,3-dihydroisoindol-5-yl)quinolin-4-one?
The InChIKey is PVBIADANTYOAKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F2N2O2/c1-25-10-14-3-2-13(8-15(14)11-25)20-18(24)9-17-19(27)6-7-26(16-4-5-16)21(17)22(20)28-12-23/h2-3,6-9,16H,4-5,10-12H2,1H3.
What are the key properties of 1-cyclopropyl-6-fluoro-8-(fluoromethoxy)-7-(2-methyl-1,3-dihydroisoindol-5-yl)quinolin-4-one?
1-cyclopropyl-6-fluoro-8-(fluoromethoxy)-7-(2-methyl-1,3-dihydroisoindol-5-yl)quinolin-4-one has a molecular weight of 382.41 g/mol, XLogP of 4.39, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-6-fluoro-8-(fluoromethoxy)-7-(2-methyl-1,3-dihydroisoindol-5-yl)quinolin-4-one is sourced from PubChem (CID 67696493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).