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

C20H23FN4O — CID 5034316

IUPAC2-amino-1-(dimethylamino)-4-(2-fluorophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile
SMILESCN(C)N1C(N)=C(C#N)C(c2ccccc2F)C2=C1CC(C)(C)CC2=O
InChIInChI=1S/C20H23FN4O/c1-20(2)9-15-18(16(26)10-20)17(12-7-5-6-8-14(12)21)13(11-22)19(23)25(15)24(3)4/h5-8,17H,9-10,23H2,1-4H3
InChIKeyRWBGMSBUZSLJOQ-UHFFFAOYSA-N
MW354.43 g/mol
LogP3.04
Rot. Bonds2

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

2-amino-1-(dimethylamino)-4-(2-fluorophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile (PubChem CID 5034316) has the molecular formula C20H23FN4O and a molecular weight of 354.43 g/mol. Its IUPAC name is 2-amino-1-(dimethylamino)-4-(2-fluorophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile.

Molecular Properties

Compound Name2-amino-1-(dimethylamino)-4-(2-fluorophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile
PubChem CID5034316
Molecular FormulaC20H23FN4O
Molecular Weight354.43 g/mol
Exact Mass354.19
IUPAC Name2-amino-1-(dimethylamino)-4-(2-fluorophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile
SMILESCN(C)N1C(N)=C(C#N)C(c2ccccc2F)C2=C1CC(C)(C)CC2=O
InChIInChI=1S/C20H23FN4O/c1-20(2)9-15-18(16(26)10-20)17(12-7-5-6-8-14(12)21)13(11-22)19(23)25(15)24(3)4/h5-8,17H,9-10,23H2,1-4H3
InChIKeyRWBGMSBUZSLJOQ-UHFFFAOYSA-N
XLogP3.04
TPSA73.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,7,7-Trimethyl-5-oxo-4-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
CID 612115
2-Amino-4-(4-chlorophenyl)-1-(dimethylamino)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
CID 3688667
2-Amino-1-(dimethylamino)-4-(4-ethylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
CID 5191706
2-Amino-1-(dimethylamino)-4-(1-naphthalenyl)-5-oxo-7-phenyl-4,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 4025678
2-Amino-1-(dimethylamino)-7,7-dimethyl-5-oxo-4-phenyl-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
CID 4656101
2-Amino-4-(2-chlorophenyl)-1-(dimethylamino)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
CID 3702925
2-Amino-4-(3-chlorophenyl)-1-(dimethylamino)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
CID 3990887
2-Amino-1-(dimethylamino)-5-oxo-4-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
CID 3306133
2-Amino-1-(dimethylamino)-4-(4-fluorophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
CID 3787431
2-Amino-1-(dimethylamino)-4-(4-fluorophenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
CID 2907963
2-Amino-1-(dimethylamino)-4-(4-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
CID 4200138
2-Amino-4-(4-bromophenyl)-1-(dimethylamino)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
CID 5100187

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(dimethylamino)-4-(2-fluorophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile?
The IUPAC name of 2-amino-1-(dimethylamino)-4-(2-fluorophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile (CID 5034316) is 2-amino-1-(dimethylamino)-4-(2-fluorophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile.
What is the SMILES notation for 2-amino-1-(dimethylamino)-4-(2-fluorophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile?
The canonical SMILES for 2-amino-1-(dimethylamino)-4-(2-fluorophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile is CN(C)N1C(N)=C(C#N)C(c2ccccc2F)C2=C1CC(C)(C)CC2=O.
What is the InChIKey of 2-amino-1-(dimethylamino)-4-(2-fluorophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile?
The InChIKey is RWBGMSBUZSLJOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN4O/c1-20(2)9-15-18(16(26)10-20)17(12-7-5-6-8-14(12)21)13(11-22)19(23)25(15)24(3)4/h5-8,17H,9-10,23H2,1-4H3.
What are the key properties of 2-amino-1-(dimethylamino)-4-(2-fluorophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile?
2-amino-1-(dimethylamino)-4-(2-fluorophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile has a molecular weight of 354.43 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(dimethylamino)-4-(2-fluorophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile is sourced from PubChem (CID 5034316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).