Skip to content

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

C24H23Br2N3O2 — CID 146036539

Data last refreshed: (MolForge compound catalog, from PubChem)

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

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

Launch Full Analysis

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).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.