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

C24H23BrFN3O2 — CID 146036506

IUPAC2-amino-1-(4-bromophenyl)-4-(4-fluorophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carboxamide
SMILESCC1(C)CC(=O)C2=C(C1)N(c1ccc(Br)cc1)C(N)=C(C(N)=O)C2c1ccc(F)cc1
InChIInChI=1S/C24H23BrFN3O2/c1-24(2)11-17-20(18(30)12-24)19(13-3-7-15(26)8-4-13)21(23(28)31)22(27)29(17)16-9-5-14(25)6-10-16/h3-10,19H,11-12,27H2,1-2H3,(H2,28,31)
InChIKeyLPMWBVPVYJHANY-UHFFFAOYSA-N
MW484.37 g/mol
LogP4.49
Rot. Bonds3

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

2-amino-1-(4-bromophenyl)-4-(4-fluorophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carboxamide (PubChem CID 146036506) has the molecular formula C24H23BrFN3O2 and a molecular weight of 484.37 g/mol. Its IUPAC name is 2-amino-1-(4-bromophenyl)-4-(4-fluorophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carboxamide.

Molecular Properties

Compound Name2-amino-1-(4-bromophenyl)-4-(4-fluorophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carboxamide
PubChem CID146036506
Molecular FormulaC24H23BrFN3O2
Molecular Weight484.37 g/mol
Exact Mass483.10
IUPAC Name2-amino-1-(4-bromophenyl)-4-(4-fluorophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carboxamide
SMILESCC1(C)CC(=O)C2=C(C1)N(c1ccc(Br)cc1)C(N)=C(C(N)=O)C2c1ccc(F)cc1
InChIInChI=1S/C24H23BrFN3O2/c1-24(2)11-17-20(18(30)12-24)19(13-3-7-15(26)8-4-13)21(23(28)31)22(27)29(17)16-9-5-14(25)6-10-16/h3-10,19H,11-12,27H2,1-2H3,(H2,28,31)
InChIKeyLPMWBVPVYJHANY-UHFFFAOYSA-N
XLogP4.49
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.37
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-amino-1-(4-bromophenyl)-4-(4-fluorophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carboxamide 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-Amino-1-(4-bromophenyl)-7,7-dimethyl-5-oxo-4-phenyl-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
CID 3943034
2-Amino-4-(4-bromophenyl)-7,7-dimethyl-5-oxo-1-phenyl-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
CID 4569410
2-Amino-1-(4-bromo-2-fluorophenyl)-4-[4-(dimethylamino)phenyl]-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
CID 3961019
2-Amino-1-(4-bromo-2-fluorophenyl)-4-(4-bromophenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
CID 4569570
4-(3-bromophenyl)-2-methyl-N-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 3142525
4-(4-bromophenyl)-2-methyl-N-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 3144726
2-Amino-1-(4-bromophenyl)-4-[4-(diethylamino)phenyl]-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
CID 2845061
4-(4-Ethylphenyl)-N-(3-fluorophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxamide
CID 2900107
2-Amino-1-(4-bromo-2-fluorophenyl)-7,7-dimethyl-4-(4-(methylsulfanyl)phenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
CID 3416524
2-Amino-1-(4-bromophenyl)-4-(4-fluorophenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
CID 4040084
2-Amino-1-(4-bromophenyl)-4-[4-(diethylamino)phenyl]-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
CID 4261501
2-Amino-1,4-bis(4-bromophenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
CID 4592644

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4-bromophenyl)-4-(4-fluorophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carboxamide?
The IUPAC name of 2-amino-1-(4-bromophenyl)-4-(4-fluorophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carboxamide (CID 146036506) is 2-amino-1-(4-bromophenyl)-4-(4-fluorophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carboxamide.
What is the SMILES notation for 2-amino-1-(4-bromophenyl)-4-(4-fluorophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carboxamide?
The canonical SMILES for 2-amino-1-(4-bromophenyl)-4-(4-fluorophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carboxamide is CC1(C)CC(=O)C2=C(C1)N(c1ccc(Br)cc1)C(N)=C(C(N)=O)C2c1ccc(F)cc1.
What is the InChIKey of 2-amino-1-(4-bromophenyl)-4-(4-fluorophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carboxamide?
The InChIKey is LPMWBVPVYJHANY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23BrFN3O2/c1-24(2)11-17-20(18(30)12-24)19(13-3-7-15(26)8-4-13)21(23(28)31)22(27)29(17)16-9-5-14(25)6-10-16/h3-10,19H,11-12,27H2,1-2H3,(H2,28,31).
What are the key properties of 2-amino-1-(4-bromophenyl)-4-(4-fluorophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carboxamide?
2-amino-1-(4-bromophenyl)-4-(4-fluorophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carboxamide has a molecular weight of 484.37 g/mol, XLogP of 4.49, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(4-bromophenyl)-4-(4-fluorophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carboxamide is sourced from PubChem (CID 146036506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).