4-[3-cyano-6-methoxy-7-(2-methoxyethoxy)quinolin-2-yl]-N-(4-cyanophenyl)piperazine-1-carboxamide

C26H26N6O4 — CID 91197026

IUPAC4-[3-cyano-6-methoxy-7-(2-methoxyethoxy)quinolin-2-yl]-N-(4-cyanophenyl)piperazine-1-carboxamide
SMILESCOCCOc1cc2nc(N3CCN(C(=O)Nc4ccc(C#N)cc4)CC3)c(C#N)cc2cc1OC
InChIInChI=1S/C26H26N6O4/c1-34-11-12-36-24-15-22-19(14-23(24)35-2)13-20(17-28)25(30-22)31-7-9-32(10-8-31)26(33)29-21-5-3-18(16-27)4-6-21/h3-6,13-15H,7-12H2,1-2H3,(H,29,33)
InChIKeyGHDDFLZXHRHLRZ-UHFFFAOYSA-N
MW486.53 g/mol
LogP3.37
Rot. Bonds7

About 4-[3-cyano-6-methoxy-7-(2-methoxyethoxy)quinolin-2-yl]-N-(4-cyanophenyl)piperazine-1-carboxamide

4-[3-cyano-6-methoxy-7-(2-methoxyethoxy)quinolin-2-yl]-N-(4-cyanophenyl)piperazine-1-carboxamide (PubChem CID 91197026) has the molecular formula C26H26N6O4 and a molecular weight of 486.53 g/mol. Its IUPAC name is 4-[3-cyano-6-methoxy-7-(2-methoxyethoxy)quinolin-2-yl]-N-(4-cyanophenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[3-cyano-6-methoxy-7-(2-methoxyethoxy)quinolin-2-yl]-N-(4-cyanophenyl)piperazine-1-carboxamide
PubChem CID91197026
Molecular FormulaC26H26N6O4
Molecular Weight486.53 g/mol
Exact Mass486.20
IUPAC Name4-[3-cyano-6-methoxy-7-(2-methoxyethoxy)quinolin-2-yl]-N-(4-cyanophenyl)piperazine-1-carboxamide
SMILESCOCCOc1cc2nc(N3CCN(C(=O)Nc4ccc(C#N)cc4)CC3)c(C#N)cc2cc1OC
InChIInChI=1S/C26H26N6O4/c1-34-11-12-36-24-15-22-19(14-23(24)35-2)13-20(17-28)25(30-22)31-7-9-32(10-8-31)26(33)29-21-5-3-18(16-27)4-6-21/h3-6,13-15H,7-12H2,1-2H3,(H,29,33)
InChIKeyGHDDFLZXHRHLRZ-UHFFFAOYSA-N
XLogP3.37
TPSA123.74 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.53
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-[3-cyano-6-methoxy-7-(2-methoxyethoxy)quinolin-2-yl]-N-(4-cyanophenyl)piperazine-1-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

N-(4-cyanophenyl)-4-[7-methoxy-6-(2-methoxyethoxy)quinazolin-4-yl]piperazine-1-carboxamide
CID 10344304
N-(4-cyanophenyl)-4-[6-methoxy-7-(2-pyrrol-1-ylethoxy)quinazolin-4-yl]piperazine-1-carboxamide
CID 10918068
2-[4-[4-[(4-cyanophenyl)carbamoyl]piperazin-1-yl]-7-methoxyquinazolin-6-yl]oxyacetic acid
CID 11190431
N-(4-cyanophenyl)-4-(6-hydroxy-7-methoxyquinazolin-4-yl)piperazine-1-carboxamide
CID 11200526
N-(4-cyanophenyl)-4-[6-methoxy-7-[3-(triazol-1-yl)propoxy]quinazolin-4-yl]piperazine-1-carboxamide
CID 10907383
6-[4-[4-[(4-cyanophenyl)carbamoyl]piperazin-1-yl]-6-methoxyquinazolin-7-yl]oxy-3,5-dihydroxyhexanoic acid
CID 11599238
4-[3-cyano-6-methoxy-7-(2-piperidin-2-ylethoxy)quinolin-4-yl]-N-(4-cyanophenyl)piperazine-1-carboxamide
CID 22284819
4-(3-cyano-6,7-dimethylquinolin-2-yl)-N-(3-cyanophenyl)-1,4-diazepane-1-carboxamide
CID 43815109
4-[3-cyano-6-methoxy-7-(2-methoxyethoxy)quinolin-4-yl]-N-[4-(1H-indol-5-yloxy)phenyl]piperazine-1-carboxamide
CID 10210623
4-[7-[3-[amino-[(Z)-2-aminoethenyl]amino]propoxy]-3-formyl-6-methoxyquinolin-4-yl]-N-(4-cyanophenyl)piperazine-1-carboxamide
CID 142169746
4-[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]-N-(4-naphthalen-2-yloxyphenyl)piperazine-1-carboxamide
CID 10281714
N-(4-cyanophenyl)-4-[3-(hydroxymethyl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-yl]piperazine-1-carboxamide
CID 10230748

Frequently Asked Questions

What is the IUPAC name of 4-[3-cyano-6-methoxy-7-(2-methoxyethoxy)quinolin-2-yl]-N-(4-cyanophenyl)piperazine-1-carboxamide?
The IUPAC name of 4-[3-cyano-6-methoxy-7-(2-methoxyethoxy)quinolin-2-yl]-N-(4-cyanophenyl)piperazine-1-carboxamide (CID 91197026) is 4-[3-cyano-6-methoxy-7-(2-methoxyethoxy)quinolin-2-yl]-N-(4-cyanophenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-[3-cyano-6-methoxy-7-(2-methoxyethoxy)quinolin-2-yl]-N-(4-cyanophenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-[3-cyano-6-methoxy-7-(2-methoxyethoxy)quinolin-2-yl]-N-(4-cyanophenyl)piperazine-1-carboxamide is COCCOc1cc2nc(N3CCN(C(=O)Nc4ccc(C#N)cc4)CC3)c(C#N)cc2cc1OC.
What is the InChIKey of 4-[3-cyano-6-methoxy-7-(2-methoxyethoxy)quinolin-2-yl]-N-(4-cyanophenyl)piperazine-1-carboxamide?
The InChIKey is GHDDFLZXHRHLRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N6O4/c1-34-11-12-36-24-15-22-19(14-23(24)35-2)13-20(17-28)25(30-22)31-7-9-32(10-8-31)26(33)29-21-5-3-18(16-27)4-6-21/h3-6,13-15H,7-12H2,1-2H3,(H,29,33).
What are the key properties of 4-[3-cyano-6-methoxy-7-(2-methoxyethoxy)quinolin-2-yl]-N-(4-cyanophenyl)piperazine-1-carboxamide?
4-[3-cyano-6-methoxy-7-(2-methoxyethoxy)quinolin-2-yl]-N-(4-cyanophenyl)piperazine-1-carboxamide has a molecular weight of 486.53 g/mol, XLogP of 3.37, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-cyano-6-methoxy-7-(2-methoxyethoxy)quinolin-2-yl]-N-(4-cyanophenyl)piperazine-1-carboxamide is sourced from PubChem (CID 91197026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).