N-[1-(3-chlorophenyl)-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl]-2-(4-methylpiperazin-1-yl)acetamide

C24H26ClN5O — CID 22310682

IUPACN-[1-(3-chlorophenyl)-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl]-2-(4-methylpiperazin-1-yl)acetamide
SMILESCN1CCN(CC(=O)Nc2c3c(nc4ccccc24)N(c2cccc(Cl)c2)CC3)CC1
InChIInChI=1S/C24H26ClN5O/c1-28-11-13-29(14-12-28)16-22(31)27-23-19-7-2-3-8-21(19)26-24-20(23)9-10-30(24)18-6-4-5-17(25)15-18/h2-8,15H,9-14,16H2,1H3,(H,26,27,31)
InChIKeyFTKZYIVNSVNKKT-UHFFFAOYSA-N
MW435.96 g/mol
LogP3.77
Rot. Bonds4

About N-[1-(3-chlorophenyl)-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl]-2-(4-methylpiperazin-1-yl)acetamide

N-[1-(3-chlorophenyl)-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl]-2-(4-methylpiperazin-1-yl)acetamide (PubChem CID 22310682) has the molecular formula C24H26ClN5O and a molecular weight of 435.96 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl]-2-(4-methylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl]-2-(4-methylpiperazin-1-yl)acetamide
PubChem CID22310682
Molecular FormulaC24H26ClN5O
Molecular Weight435.96 g/mol
Exact Mass435.18
IUPAC NameN-[1-(3-chlorophenyl)-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl]-2-(4-methylpiperazin-1-yl)acetamide
SMILESCN1CCN(CC(=O)Nc2c3c(nc4ccccc24)N(c2cccc(Cl)c2)CC3)CC1
InChIInChI=1S/C24H26ClN5O/c1-28-11-13-29(14-12-28)16-22(31)27-23-19-7-2-3-8-21(19)26-24-20(23)9-10-30(24)18-6-4-5-17(25)15-18/h2-8,15H,9-14,16H2,1H3,(H,26,27,31)
InChIKeyFTKZYIVNSVNKKT-UHFFFAOYSA-N
XLogP3.77
TPSA51.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.96
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-(3-chlorophenyl)-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl]-2-(4-methylpiperazin-1-yl)acetamide 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 N-[1-(3-chlorophenyl)-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl]-2-(4-methylpiperazin-1-yl)acetamide?
The IUPAC name of N-[1-(3-chlorophenyl)-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl]-2-(4-methylpiperazin-1-yl)acetamide (CID 22310682) is N-[1-(3-chlorophenyl)-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl]-2-(4-methylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-[1-(3-chlorophenyl)-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl]-2-(4-methylpiperazin-1-yl)acetamide?
The canonical SMILES for N-[1-(3-chlorophenyl)-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl]-2-(4-methylpiperazin-1-yl)acetamide is CN1CCN(CC(=O)Nc2c3c(nc4ccccc24)N(c2cccc(Cl)c2)CC3)CC1.
What is the InChIKey of N-[1-(3-chlorophenyl)-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl]-2-(4-methylpiperazin-1-yl)acetamide?
The InChIKey is FTKZYIVNSVNKKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN5O/c1-28-11-13-29(14-12-28)16-22(31)27-23-19-7-2-3-8-21(19)26-24-20(23)9-10-30(24)18-6-4-5-17(25)15-18/h2-8,15H,9-14,16H2,1H3,(H,26,27,31).
What are the key properties of N-[1-(3-chlorophenyl)-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl]-2-(4-methylpiperazin-1-yl)acetamide?
N-[1-(3-chlorophenyl)-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl]-2-(4-methylpiperazin-1-yl)acetamide has a molecular weight of 435.96 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chlorophenyl)-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl]-2-(4-methylpiperazin-1-yl)acetamide is sourced from PubChem (CID 22310682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).