2-amino-4-(4-fluorophenyl)-7,7-dimethyl-1-morpholin-4-yl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile

C22H25FN4O2 — CID 3280278

IUPAC2-amino-4-(4-fluorophenyl)-7,7-dimethyl-1-morpholin-4-yl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile
SMILESCC1(C)CC(=O)C2=C(C1)N(N1CCOCC1)C(N)=C(C#N)C2c1ccc(F)cc1
InChIInChI=1S/C22H25FN4O2/c1-22(2)11-17-20(18(28)12-22)19(14-3-5-15(23)6-4-14)16(13-24)21(25)27(17)26-7-9-29-10-8-26/h3-6,19H,7-12,25H2,1-2H3
InChIKeyJSGFITBBNDGQFO-UHFFFAOYSA-N
MW396.47 g/mol
LogP2.81
Rot. Bonds2

About 2-amino-4-(4-fluorophenyl)-7,7-dimethyl-1-morpholin-4-yl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile

2-amino-4-(4-fluorophenyl)-7,7-dimethyl-1-morpholin-4-yl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile (PubChem CID 3280278) has the molecular formula C22H25FN4O2 and a molecular weight of 396.47 g/mol. Its IUPAC name is 2-amino-4-(4-fluorophenyl)-7,7-dimethyl-1-morpholin-4-yl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(4-fluorophenyl)-7,7-dimethyl-1-morpholin-4-yl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile
PubChem CID3280278
Molecular FormulaC22H25FN4O2
Molecular Weight396.47 g/mol
Exact Mass396.20
IUPAC Name2-amino-4-(4-fluorophenyl)-7,7-dimethyl-1-morpholin-4-yl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile
SMILESCC1(C)CC(=O)C2=C(C1)N(N1CCOCC1)C(N)=C(C#N)C2c1ccc(F)cc1
InChIInChI=1S/C22H25FN4O2/c1-22(2)11-17-20(18(28)12-22)19(14-3-5-15(23)6-4-14)16(13-24)21(25)27(17)26-7-9-29-10-8-26/h3-6,19H,7-12,25H2,1-2H3
InChIKeyJSGFITBBNDGQFO-UHFFFAOYSA-N
XLogP2.81
TPSA82.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-amino-4-(4-fluorophenyl)-7,7-dimethyl-1-morpholin-4-yl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile with MolForge

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Related Compounds

2-amino-7,7-dimethyl-1-morpholin-4-yl-5-oxo-4-pyridin-4-yl-6,8-dihydro-4H-quinoline-3-carbonitrile
CID 23973124
2-amino-4-(4-ethoxyphenyl)-7,7-dimethyl-1-morpholin-4-yl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile
CID 4650072
2-amino-4-(3-bromophenyl)-7,7-dimethyl-1-morpholin-4-yl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile
CID 5160476
2-amino-7,7-dimethyl-1-morpholin-4-yl-4-(3-nitrophenyl)-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile
CID 3780586
2-amino-7,7-dimethyl-1-morpholin-4-yl-5-oxo-4-thiophen-2-yl-6,8-dihydro-4H-quinoline-3-carbonitrile
CID 4076918
2-amino-4-(2,3-dimethoxyphenyl)-7,7-dimethyl-1-morpholin-4-yl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile
CID 5054807
(4R)-2-amino-4-(4-fluorophenyl)-1-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile
CID 1041356
2-amino-1-(3-bromophenyl)-4-(4-fluorophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile
CID 3268374
2-amino-1-morpholin-4-yl-5-oxo-4-phenyl-4,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 23804118
(1E)-5-(4-fluorophenyl)-1-hydrazinylidene-8,8-dimethyl-6-oxo-7,9-dihydro-5H-[1,3]thiazolo[3,2-a]quinoline-4-carbonitrile
CID 171979416
(8S)-8-(4-fluorophenyl)-11,11-dimethyl-5,9-dioxo-6,8,10,12-tetrahydroquinolino[1,2-a]quinazoline-7-carbonitrile
CID 139073165
(4S)-2-amino-7,7-dimethyl-1,4-bis(4-nitrophenyl)-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile
CID 40905709

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(4-fluorophenyl)-7,7-dimethyl-1-morpholin-4-yl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile?
The IUPAC name of 2-amino-4-(4-fluorophenyl)-7,7-dimethyl-1-morpholin-4-yl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile (CID 3280278) is 2-amino-4-(4-fluorophenyl)-7,7-dimethyl-1-morpholin-4-yl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(4-fluorophenyl)-7,7-dimethyl-1-morpholin-4-yl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile?
The canonical SMILES for 2-amino-4-(4-fluorophenyl)-7,7-dimethyl-1-morpholin-4-yl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile is CC1(C)CC(=O)C2=C(C1)N(N1CCOCC1)C(N)=C(C#N)C2c1ccc(F)cc1.
What is the InChIKey of 2-amino-4-(4-fluorophenyl)-7,7-dimethyl-1-morpholin-4-yl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile?
The InChIKey is JSGFITBBNDGQFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN4O2/c1-22(2)11-17-20(18(28)12-22)19(14-3-5-15(23)6-4-14)16(13-24)21(25)27(17)26-7-9-29-10-8-26/h3-6,19H,7-12,25H2,1-2H3.
What are the key properties of 2-amino-4-(4-fluorophenyl)-7,7-dimethyl-1-morpholin-4-yl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile?
2-amino-4-(4-fluorophenyl)-7,7-dimethyl-1-morpholin-4-yl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile has a molecular weight of 396.47 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(4-fluorophenyl)-7,7-dimethyl-1-morpholin-4-yl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile is sourced from PubChem (CID 3280278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).