3-[(Z)-1-amino-2-[(2-methyl-1-oxo-3H-isoindol-5-yl)amino]ethenyl]-6-fluoro-1H-quinolin-2-one

C20H17FN4O2 — CID 130244842

IUPAC3-[(Z)-1-amino-2-[(2-methyl-1-oxo-3H-isoindol-5-yl)amino]ethenyl]-6-fluoro-1H-quinolin-2-one
SMILESCN1Cc2cc(N/C=C(\N)c3cc4cc(F)ccc4[nH]c3=O)ccc2C1=O
InChIInChI=1S/C20H17FN4O2/c1-25-10-12-7-14(3-4-15(12)20(25)27)23-9-17(22)16-8-11-6-13(21)2-5-18(11)24-19(16)26/h2-9,23H,10,22H2,1H3,(H,24,26)/b17-9-
InChIKeyQMBANJBILOBAMN-MFOYZWKCSA-N
MW364.38 g/mol
LogP2.62
Rot. Bonds3

About 3-[(Z)-1-amino-2-[(2-methyl-1-oxo-3H-isoindol-5-yl)amino]ethenyl]-6-fluoro-1H-quinolin-2-one

3-[(Z)-1-amino-2-[(2-methyl-1-oxo-3H-isoindol-5-yl)amino]ethenyl]-6-fluoro-1H-quinolin-2-one (PubChem CID 130244842) has the molecular formula C20H17FN4O2 and a molecular weight of 364.38 g/mol. Its IUPAC name is 3-[(Z)-1-amino-2-[(2-methyl-1-oxo-3H-isoindol-5-yl)amino]ethenyl]-6-fluoro-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[(Z)-1-amino-2-[(2-methyl-1-oxo-3H-isoindol-5-yl)amino]ethenyl]-6-fluoro-1H-quinolin-2-one
PubChem CID130244842
Molecular FormulaC20H17FN4O2
Molecular Weight364.38 g/mol
Exact Mass364.13
IUPAC Name3-[(Z)-1-amino-2-[(2-methyl-1-oxo-3H-isoindol-5-yl)amino]ethenyl]-6-fluoro-1H-quinolin-2-one
SMILESCN1Cc2cc(N/C=C(\N)c3cc4cc(F)ccc4[nH]c3=O)ccc2C1=O
InChIInChI=1S/C20H17FN4O2/c1-25-10-12-7-14(3-4-15(12)20(25)27)23-9-17(22)16-8-11-6-13(21)2-5-18(11)24-19(16)26/h2-9,23H,10,22H2,1H3,(H,24,26)/b17-9-
InChIKeyQMBANJBILOBAMN-MFOYZWKCSA-N
XLogP2.62
TPSA91.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.38
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-[(Z)-1-amino-2-[(2-methyl-1-oxo-3H-isoindol-5-yl)amino]ethenyl]-6-fluoro-1H-quinolin-2-one with MolForge

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Related Compounds

3-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-N-o-tolyl-propionamide
CID 721309
3-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-N-(3-methylphenyl)propanamide
CID 682204
3-[3-fluoro-4-(1-oxo-2,3-dihydro-1H-isoindol-4-yl)phenyl]-1-(3-methylphenyl)urea
CID 5329899
3-[2-fluoro-4-(1-oxo-2,3-dihydro-1H-isoindol-4-yl)phenyl]-1-(3-methylphenyl)urea
CID 5329900
3-[2-methyl-4-(1-oxo-2,3-dihydro-1H-isoindol-4-yl)phenyl]-1-(3-methylphenyl)urea
CID 5329902
1-(3-methylphenyl)-3-[4-(1-oxo-2,3-dihydro-1H-isoindol-4-yl)-2-(trifluoromethyl)phenyl]urea
CID 5329904
3-[4-(7-amino-1-oxo-2,3-dihydro-1H-isoindol-4-yl)phenyl]-1-(3-methylphenyl)urea
CID 5329909
N-[7-(4-{[(3-methylphenyl)carbamoyl]amino}phenyl)-3-oxo-2,3-dihydro-1H-isoindol-4-yl]acetamide
CID 5329910
N-[7-(4-{[(3-methylphenyl)carbamoyl]amino}phenyl)-3-oxo-2,3-dihydro-1H-isoindol-4-yl]benzamide
CID 5329911
(3~{S})-3-[2-[4-(3,4-dimethylphenyl)piperazin-1-yl]ethyl]-2,3-dihydroisoindol-1-one
CID 9798466
2-(dimethylamino)-N-{8-oxo-9-azatetracyclo[8.7.0.0^{2,7}.0^{11,16}]heptadeca-1(10),2(7),3,5,11(16),12,14-heptaen-13-yl}acetamide
CID 11290531
1-{8-Oxo-9-azatetracyclo[8.7.0.0^{2,7}.0^{11,16}]heptadeca-1(10),2(7),3,5,11(16),12,14-heptaen-14-yl}-3-propylurea
CID 11336543

Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-1-amino-2-[(2-methyl-1-oxo-3H-isoindol-5-yl)amino]ethenyl]-6-fluoro-1H-quinolin-2-one?
The IUPAC name of 3-[(Z)-1-amino-2-[(2-methyl-1-oxo-3H-isoindol-5-yl)amino]ethenyl]-6-fluoro-1H-quinolin-2-one (CID 130244842) is 3-[(Z)-1-amino-2-[(2-methyl-1-oxo-3H-isoindol-5-yl)amino]ethenyl]-6-fluoro-1H-quinolin-2-one.
What is the SMILES notation for 3-[(Z)-1-amino-2-[(2-methyl-1-oxo-3H-isoindol-5-yl)amino]ethenyl]-6-fluoro-1H-quinolin-2-one?
The canonical SMILES for 3-[(Z)-1-amino-2-[(2-methyl-1-oxo-3H-isoindol-5-yl)amino]ethenyl]-6-fluoro-1H-quinolin-2-one is CN1Cc2cc(N/C=C(\N)c3cc4cc(F)ccc4[nH]c3=O)ccc2C1=O.
What is the InChIKey of 3-[(Z)-1-amino-2-[(2-methyl-1-oxo-3H-isoindol-5-yl)amino]ethenyl]-6-fluoro-1H-quinolin-2-one?
The InChIKey is QMBANJBILOBAMN-MFOYZWKCSA-N. The full InChI is InChI=1S/C20H17FN4O2/c1-25-10-12-7-14(3-4-15(12)20(25)27)23-9-17(22)16-8-11-6-13(21)2-5-18(11)24-19(16)26/h2-9,23H,10,22H2,1H3,(H,24,26)/b17-9-.
What are the key properties of 3-[(Z)-1-amino-2-[(2-methyl-1-oxo-3H-isoindol-5-yl)amino]ethenyl]-6-fluoro-1H-quinolin-2-one?
3-[(Z)-1-amino-2-[(2-methyl-1-oxo-3H-isoindol-5-yl)amino]ethenyl]-6-fluoro-1H-quinolin-2-one has a molecular weight of 364.38 g/mol, XLogP of 2.62, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-1-amino-2-[(2-methyl-1-oxo-3H-isoindol-5-yl)amino]ethenyl]-6-fluoro-1H-quinolin-2-one is sourced from PubChem (CID 130244842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).