3-[(Z)-1-amino-2-[3-fluoro-4-(morpholine-4-carbonyl)anilino]ethenyl]-1H-quinolin-2-one

C22H21FN4O3 — CID 130244615

IUPAC3-[(Z)-1-amino-2-[3-fluoro-4-(morpholine-4-carbonyl)anilino]ethenyl]-1H-quinolin-2-one
SMILESN/C(=C\Nc1ccc(C(=O)N2CCOCC2)c(F)c1)c1cc2ccccc2[nH]c1=O
InChIInChI=1S/C22H21FN4O3/c23-18-12-15(5-6-16(18)22(29)27-7-9-30-10-8-27)25-13-19(24)17-11-14-3-1-2-4-20(14)26-21(17)28/h1-6,11-13,25H,7-10,24H2,(H,26,28)/b19-13-
InChIKeyNUVUBKRYWUQNGP-UYRXBGFRSA-N
MW408.43 g/mol
LogP2.51
Rot. Bonds4

About 3-[(Z)-1-amino-2-[3-fluoro-4-(morpholine-4-carbonyl)anilino]ethenyl]-1H-quinolin-2-one

3-[(Z)-1-amino-2-[3-fluoro-4-(morpholine-4-carbonyl)anilino]ethenyl]-1H-quinolin-2-one (PubChem CID 130244615) has the molecular formula C22H21FN4O3 and a molecular weight of 408.43 g/mol. Its IUPAC name is 3-[(Z)-1-amino-2-[3-fluoro-4-(morpholine-4-carbonyl)anilino]ethenyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[(Z)-1-amino-2-[3-fluoro-4-(morpholine-4-carbonyl)anilino]ethenyl]-1H-quinolin-2-one
PubChem CID130244615
Molecular FormulaC22H21FN4O3
Molecular Weight408.43 g/mol
Exact Mass408.16
IUPAC Name3-[(Z)-1-amino-2-[3-fluoro-4-(morpholine-4-carbonyl)anilino]ethenyl]-1H-quinolin-2-one
SMILESN/C(=C\Nc1ccc(C(=O)N2CCOCC2)c(F)c1)c1cc2ccccc2[nH]c1=O
InChIInChI=1S/C22H21FN4O3/c23-18-12-15(5-6-16(18)22(29)27-7-9-30-10-8-27)25-13-19(24)17-11-14-3-1-2-4-20(14)26-21(17)28/h1-6,11-13,25H,7-10,24H2,(H,26,28)/b19-13-
InChIKeyNUVUBKRYWUQNGP-UYRXBGFRSA-N
XLogP2.51
TPSA100.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.43
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-[(Z)-1-amino-2-[3-fluoro-4-(morpholine-4-carbonyl)anilino]ethenyl]-1H-quinolin-2-one with MolForge

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Related Compounds

3-[(Z)-1-amino-2-[4-(morpholine-4-carbonyl)anilino]ethenyl]-1H-1,7-naphthyridin-2-one
CID 130243340
[2-[amino(methyl)amino]-2-(2-oxo-1H-quinolin-3-yl)ethenyl]-[3-fluoro-4-(morpholine-4-carbonyl)phenyl]azanium
CID 146959622
3-[(Z)-1-amino-2-[4-(4-methyl-1,4-diazepan-1-yl)anilino]ethenyl]-1H-quinolin-2-one
CID 130242854
1H-indol-2-yl(morpholin-4-yl)methanone
CID 825286
methyl 4-[[(Z)-2-amino-2-(2-oxo-1H-quinolin-3-yl)ethenyl]amino]pyridine-2-carboxylate
CID 130244896
3-fluoro-4-(morpholine-4-carbonyl)benzamide
CID 68509173
N-(1,3-benzodioxol-5-yl)-1-(2-oxo-1H-quinoline-3-carbonyl)piperidine-4-carboxamide
CID 16590027
3-(4-methylpiperidine-1-carbonyl)-1H-quinolin-2-one
CID 16589973
3-[(E)-3-morpholin-4-yl-3-oxoprop-1-enyl]-1H-quinolin-2-one
CID 110407799
3-[4-(1-aminoethyl)piperidine-1-carbonyl]-1H-quinolin-2-one;hydrochloride
CID 119518541
3-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidine-1-carbonyl]-1H-quinolin-2-one
CID 16613531
3-[4-[4-(trifluoromethyl)benzoyl]piperazine-1-carbonyl]-1H-quinolin-2-one
CID 55586709

Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-1-amino-2-[3-fluoro-4-(morpholine-4-carbonyl)anilino]ethenyl]-1H-quinolin-2-one?
The IUPAC name of 3-[(Z)-1-amino-2-[3-fluoro-4-(morpholine-4-carbonyl)anilino]ethenyl]-1H-quinolin-2-one (CID 130244615) is 3-[(Z)-1-amino-2-[3-fluoro-4-(morpholine-4-carbonyl)anilino]ethenyl]-1H-quinolin-2-one.
What is the SMILES notation for 3-[(Z)-1-amino-2-[3-fluoro-4-(morpholine-4-carbonyl)anilino]ethenyl]-1H-quinolin-2-one?
The canonical SMILES for 3-[(Z)-1-amino-2-[3-fluoro-4-(morpholine-4-carbonyl)anilino]ethenyl]-1H-quinolin-2-one is N/C(=C\Nc1ccc(C(=O)N2CCOCC2)c(F)c1)c1cc2ccccc2[nH]c1=O.
What is the InChIKey of 3-[(Z)-1-amino-2-[3-fluoro-4-(morpholine-4-carbonyl)anilino]ethenyl]-1H-quinolin-2-one?
The InChIKey is NUVUBKRYWUQNGP-UYRXBGFRSA-N. The full InChI is InChI=1S/C22H21FN4O3/c23-18-12-15(5-6-16(18)22(29)27-7-9-30-10-8-27)25-13-19(24)17-11-14-3-1-2-4-20(14)26-21(17)28/h1-6,11-13,25H,7-10,24H2,(H,26,28)/b19-13-.
What are the key properties of 3-[(Z)-1-amino-2-[3-fluoro-4-(morpholine-4-carbonyl)anilino]ethenyl]-1H-quinolin-2-one?
3-[(Z)-1-amino-2-[3-fluoro-4-(morpholine-4-carbonyl)anilino]ethenyl]-1H-quinolin-2-one has a molecular weight of 408.43 g/mol, XLogP of 2.51, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-1-amino-2-[3-fluoro-4-(morpholine-4-carbonyl)anilino]ethenyl]-1H-quinolin-2-one is sourced from PubChem (CID 130244615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).