4-(3-bromoanilino)-8-methyl-6-(2-morpholin-4-ylethylamino)quinoline-3-carbonitrile

C23H24BrN5O — CID 69257421

IUPAC4-(3-bromoanilino)-8-methyl-6-(2-morpholin-4-ylethylamino)quinoline-3-carbonitrile
SMILESCc1cc(NCCN2CCOCC2)cc2c(Nc3cccc(Br)c3)c(C#N)cnc12
InChIInChI=1S/C23H24BrN5O/c1-16-11-20(26-5-6-29-7-9-30-10-8-29)13-21-22(16)27-15-17(14-25)23(21)28-19-4-2-3-18(24)12-19/h2-4,11-13,15,26H,5-10H2,1H3,(H,27,28)
InChIKeyINELJPBMGOEPME-UHFFFAOYSA-N
MW466.38 g/mol
LogP4.67
Rot. Bonds6

About 4-(3-bromoanilino)-8-methyl-6-(2-morpholin-4-ylethylamino)quinoline-3-carbonitrile

4-(3-bromoanilino)-8-methyl-6-(2-morpholin-4-ylethylamino)quinoline-3-carbonitrile (PubChem CID 69257421) has the molecular formula C23H24BrN5O and a molecular weight of 466.38 g/mol. Its IUPAC name is 4-(3-bromoanilino)-8-methyl-6-(2-morpholin-4-ylethylamino)quinoline-3-carbonitrile.

Molecular Properties

Compound Name4-(3-bromoanilino)-8-methyl-6-(2-morpholin-4-ylethylamino)quinoline-3-carbonitrile
PubChem CID69257421
Molecular FormulaC23H24BrN5O
Molecular Weight466.38 g/mol
Exact Mass465.12
IUPAC Name4-(3-bromoanilino)-8-methyl-6-(2-morpholin-4-ylethylamino)quinoline-3-carbonitrile
SMILESCc1cc(NCCN2CCOCC2)cc2c(Nc3cccc(Br)c3)c(C#N)cnc12
InChIInChI=1S/C23H24BrN5O/c1-16-11-20(26-5-6-29-7-9-30-10-8-29)13-21-22(16)27-15-17(14-25)23(21)28-19-4-2-3-18(24)12-19/h2-4,11-13,15,26H,5-10H2,1H3,(H,27,28)
InChIKeyINELJPBMGOEPME-UHFFFAOYSA-N
XLogP4.67
TPSA73.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.38
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-(3-bromoanilino)-8-methyl-6-(2-morpholin-4-ylethylamino)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

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromoanilino)-8-methyl-6-(2-morpholin-4-ylethylamino)quinoline-3-carbonitrile?
The IUPAC name of 4-(3-bromoanilino)-8-methyl-6-(2-morpholin-4-ylethylamino)quinoline-3-carbonitrile (CID 69257421) is 4-(3-bromoanilino)-8-methyl-6-(2-morpholin-4-ylethylamino)quinoline-3-carbonitrile.
What is the SMILES notation for 4-(3-bromoanilino)-8-methyl-6-(2-morpholin-4-ylethylamino)quinoline-3-carbonitrile?
The canonical SMILES for 4-(3-bromoanilino)-8-methyl-6-(2-morpholin-4-ylethylamino)quinoline-3-carbonitrile is Cc1cc(NCCN2CCOCC2)cc2c(Nc3cccc(Br)c3)c(C#N)cnc12.
What is the InChIKey of 4-(3-bromoanilino)-8-methyl-6-(2-morpholin-4-ylethylamino)quinoline-3-carbonitrile?
The InChIKey is INELJPBMGOEPME-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24BrN5O/c1-16-11-20(26-5-6-29-7-9-30-10-8-29)13-21-22(16)27-15-17(14-25)23(21)28-19-4-2-3-18(24)12-19/h2-4,11-13,15,26H,5-10H2,1H3,(H,27,28).
What are the key properties of 4-(3-bromoanilino)-8-methyl-6-(2-morpholin-4-ylethylamino)quinoline-3-carbonitrile?
4-(3-bromoanilino)-8-methyl-6-(2-morpholin-4-ylethylamino)quinoline-3-carbonitrile has a molecular weight of 466.38 g/mol, XLogP of 4.67, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromoanilino)-8-methyl-6-(2-morpholin-4-ylethylamino)quinoline-3-carbonitrile is sourced from PubChem (CID 69257421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).