2-N,2-N-dimethyl-3-[4-(4-methylpiperazin-1-yl)anilino]quinoline-2,6-dicarboxamide

C24H28N6O2 — CID 175783724

IUPAC2-N,2-N-dimethyl-3-[4-(4-methylpiperazin-1-yl)anilino]quinoline-2,6-dicarboxamide
SMILESCN1CCN(c2ccc(Nc3cc4cc(C(N)=O)ccc4nc3C(=O)N(C)C)cc2)CC1
InChIInChI=1S/C24H28N6O2/c1-28(2)24(32)22-21(15-17-14-16(23(25)31)4-9-20(17)27-22)26-18-5-7-19(8-6-18)30-12-10-29(3)11-13-30/h4-9,14-15,26H,10-13H2,1-3H3,(H2,25,31)
InChIKeyMPJXASFEGRKYOP-UHFFFAOYSA-N
MW432.53 g/mol
LogP2.53
Rot. Bonds5

About 2-N,2-N-dimethyl-3-[4-(4-methylpiperazin-1-yl)anilino]quinoline-2,6-dicarboxamide

2-N,2-N-dimethyl-3-[4-(4-methylpiperazin-1-yl)anilino]quinoline-2,6-dicarboxamide (PubChem CID 175783724) has the molecular formula C24H28N6O2 and a molecular weight of 432.53 g/mol. Its IUPAC name is 2-N,2-N-dimethyl-3-[4-(4-methylpiperazin-1-yl)anilino]quinoline-2,6-dicarboxamide.

Molecular Properties

Compound Name2-N,2-N-dimethyl-3-[4-(4-methylpiperazin-1-yl)anilino]quinoline-2,6-dicarboxamide
PubChem CID175783724
Molecular FormulaC24H28N6O2
Molecular Weight432.53 g/mol
Exact Mass432.23
IUPAC Name2-N,2-N-dimethyl-3-[4-(4-methylpiperazin-1-yl)anilino]quinoline-2,6-dicarboxamide
SMILESCN1CCN(c2ccc(Nc3cc4cc(C(N)=O)ccc4nc3C(=O)N(C)C)cc2)CC1
InChIInChI=1S/C24H28N6O2/c1-28(2)24(32)22-21(15-17-14-16(23(25)31)4-9-20(17)27-22)26-18-5-7-19(8-6-18)30-12-10-29(3)11-13-30/h4-9,14-15,26H,10-13H2,1-3H3,(H2,25,31)
InChIKeyMPJXASFEGRKYOP-UHFFFAOYSA-N
XLogP2.53
TPSA94.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.53
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 2-N,2-N-dimethyl-3-[4-(4-methylpiperazin-1-yl)anilino]quinoline-2,6-dicarboxamide 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

5-bromo-3-[4-(4-methylpiperazin-1-yl)anilino]pyridine-2-carboxamide
CID 70497264
2-methyl-4-[4-(4-methylpiperazin-1-yl)anilino]quinoline-6-carboxylic acid
CID 7138021
2-chloro-5-fluoro-6-[4-(4-methylpiperazin-1-yl)anilino]pyridine-3-carboxamide
CID 57489643
4-[4-[2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]piperazin-1-yl]benzamide;piperazine
CID 174974532
N-[2-(dimethylamino)ethyl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyridine-4-carboxamide
CID 109167751
3-[[5-chloro-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]pyridine-2-carboxamide
CID 44526828
(E)-3-[3-[4-(4-methylpiperazin-1-yl)anilino]-4-pyridinyl]prop-2-enamide
CID 162352566
5-chloro-3-[4-(4-methylpiperazin-1-yl)anilino]-6-propan-2-ylpyrazine-2-carboxamide
CID 88569768
N-(4-carbamoylphenyl)-4-[2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]piperazine-1-carboxamide
CID 154637083
N-[3-(dimethylamino)propyl]-5-[4-(4-methylpiperazin-1-yl)anilino]pyridine-3-carboxamide
CID 109229856
3-chloro-4-cyclopropylbenzamide;3-[4-(4-methylpiperazin-1-yl)anilino]-5-piperidin-1-ylpyrazine-2-carboxamide
CID 145201115
3-[4-[4-(4-methylpiperazin-1-yl)anilino]quinolin-6-yl]phenol
CID 11611254

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-dimethyl-3-[4-(4-methylpiperazin-1-yl)anilino]quinoline-2,6-dicarboxamide?
The IUPAC name of 2-N,2-N-dimethyl-3-[4-(4-methylpiperazin-1-yl)anilino]quinoline-2,6-dicarboxamide (CID 175783724) is 2-N,2-N-dimethyl-3-[4-(4-methylpiperazin-1-yl)anilino]quinoline-2,6-dicarboxamide.
What is the SMILES notation for 2-N,2-N-dimethyl-3-[4-(4-methylpiperazin-1-yl)anilino]quinoline-2,6-dicarboxamide?
The canonical SMILES for 2-N,2-N-dimethyl-3-[4-(4-methylpiperazin-1-yl)anilino]quinoline-2,6-dicarboxamide is CN1CCN(c2ccc(Nc3cc4cc(C(N)=O)ccc4nc3C(=O)N(C)C)cc2)CC1.
What is the InChIKey of 2-N,2-N-dimethyl-3-[4-(4-methylpiperazin-1-yl)anilino]quinoline-2,6-dicarboxamide?
The InChIKey is MPJXASFEGRKYOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O2/c1-28(2)24(32)22-21(15-17-14-16(23(25)31)4-9-20(17)27-22)26-18-5-7-19(8-6-18)30-12-10-29(3)11-13-30/h4-9,14-15,26H,10-13H2,1-3H3,(H2,25,31).
What are the key properties of 2-N,2-N-dimethyl-3-[4-(4-methylpiperazin-1-yl)anilino]quinoline-2,6-dicarboxamide?
2-N,2-N-dimethyl-3-[4-(4-methylpiperazin-1-yl)anilino]quinoline-2,6-dicarboxamide has a molecular weight of 432.53 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-dimethyl-3-[4-(4-methylpiperazin-1-yl)anilino]quinoline-2,6-dicarboxamide is sourced from PubChem (CID 175783724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).