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

C24H23Br2N3O2 — CID 146036539

IUPAC2-amino-1,4-bis(4-bromophenyl)-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(Br)cc1
InChIInChI=1S/C24H23Br2N3O2/c1-24(2)11-17-20(18(30)12-24)19(13-3-5-14(25)6-4-13)21(23(28)31)22(27)29(17)16-9-7-15(26)8-10-16/h3-10,19H,11-12,27H2,1-2H3,(H2,28,31)
InChIKeyQAXCWYYOLXOJAN-UHFFFAOYSA-N
MW545.28 g/mol
LogP5.11
Rot. Bonds3

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

2-amino-1,4-bis(4-bromophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carboxamide (PubChem CID 146036539) has the molecular formula C24H23Br2N3O2 and a molecular weight of 545.28 g/mol. Its IUPAC name is 2-amino-1,4-bis(4-bromophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carboxamide.

Molecular Properties

Compound Name2-amino-1,4-bis(4-bromophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carboxamide
PubChem CID146036539
Molecular FormulaC24H23Br2N3O2
Molecular Weight545.28 g/mol
Exact Mass543.02
IUPAC Name2-amino-1,4-bis(4-bromophenyl)-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(Br)cc1
InChIInChI=1S/C24H23Br2N3O2/c1-24(2)11-17-20(18(30)12-24)19(13-3-5-14(25)6-4-13)21(23(28)31)22(27)29(17)16-9-7-15(26)8-10-16/h3-10,19H,11-12,27H2,1-2H3,(H2,28,31)
InChIKeyQAXCWYYOLXOJAN-UHFFFAOYSA-N
XLogP5.11
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500545.28
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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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-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
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
2-Amino-4-(4-bromophenyl)-7,7-dimethyl-1-(4-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
CID 4602624
4-(3-bromophenyl)-N-(2-fluorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 2900220
4-(4-bromophenyl)-N-(2,4-difluorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 2901326

Frequently Asked Questions

What is the IUPAC name of 2-amino-1,4-bis(4-bromophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carboxamide?
The IUPAC name of 2-amino-1,4-bis(4-bromophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carboxamide (CID 146036539) is 2-amino-1,4-bis(4-bromophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carboxamide.
What is the SMILES notation for 2-amino-1,4-bis(4-bromophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carboxamide?
The canonical SMILES for 2-amino-1,4-bis(4-bromophenyl)-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(Br)cc1.
What is the InChIKey of 2-amino-1,4-bis(4-bromophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carboxamide?
The InChIKey is QAXCWYYOLXOJAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23Br2N3O2/c1-24(2)11-17-20(18(30)12-24)19(13-3-5-14(25)6-4-13)21(23(28)31)22(27)29(17)16-9-7-15(26)8-10-16/h3-10,19H,11-12,27H2,1-2H3,(H2,28,31).
What are the key properties of 2-amino-1,4-bis(4-bromophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carboxamide?
2-amino-1,4-bis(4-bromophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carboxamide has a molecular weight of 545.28 g/mol, XLogP of 5.11, 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-bis(4-bromophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carboxamide is sourced from PubChem (CID 146036539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).