(E)-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]-3-(4-methylphenyl)prop-2-enamide

C25H28N4O — CID 11516903

IUPAC(E)-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]-3-(4-methylphenyl)prop-2-enamide
SMILESCc1ccc(/C=C/C(=O)Nc2ccc3nc(N4CCN(C)CC4)cc(C)c3c2)cc1
InChIInChI=1S/C25H28N4O/c1-18-4-6-20(7-5-18)8-11-25(30)26-21-9-10-23-22(17-21)19(2)16-24(27-23)29-14-12-28(3)13-15-29/h4-11,16-17H,12-15H2,1-3H3,(H,26,30)/b11-8+
InChIKeyGRCVUNIBNYGVJQ-DHZHZOJOSA-N
MW400.53 g/mol
LogP4.26
Rot. Bonds4

About (E)-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]-3-(4-methylphenyl)prop-2-enamide

(E)-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]-3-(4-methylphenyl)prop-2-enamide (PubChem CID 11516903) has the molecular formula C25H28N4O and a molecular weight of 400.53 g/mol. Its IUPAC name is (E)-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]-3-(4-methylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]-3-(4-methylphenyl)prop-2-enamide
PubChem CID11516903
Molecular FormulaC25H28N4O
Molecular Weight400.53 g/mol
Exact Mass400.23
IUPAC Name(E)-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]-3-(4-methylphenyl)prop-2-enamide
SMILESCc1ccc(/C=C/C(=O)Nc2ccc3nc(N4CCN(C)CC4)cc(C)c3c2)cc1
InChIInChI=1S/C25H28N4O/c1-18-4-6-20(7-5-18)8-11-25(30)26-21-9-10-23-22(17-21)19(2)16-24(27-23)29-14-12-28(3)13-15-29/h4-11,16-17H,12-15H2,1-3H3,(H,26,30)/b11-8+
InChIKeyGRCVUNIBNYGVJQ-DHZHZOJOSA-N
XLogP4.26
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.53
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_one_A(3)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]-3-(4-methylphenyl)prop-2-enamide 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 (E)-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]-3-(4-methylphenyl)prop-2-enamide?
The IUPAC name of (E)-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]-3-(4-methylphenyl)prop-2-enamide (CID 11516903) is (E)-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]-3-(4-methylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]-3-(4-methylphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]-3-(4-methylphenyl)prop-2-enamide is Cc1ccc(/C=C/C(=O)Nc2ccc3nc(N4CCN(C)CC4)cc(C)c3c2)cc1.
What is the InChIKey of (E)-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]-3-(4-methylphenyl)prop-2-enamide?
The InChIKey is GRCVUNIBNYGVJQ-DHZHZOJOSA-N. The full InChI is InChI=1S/C25H28N4O/c1-18-4-6-20(7-5-18)8-11-25(30)26-21-9-10-23-22(17-21)19(2)16-24(27-23)29-14-12-28(3)13-15-29/h4-11,16-17H,12-15H2,1-3H3,(H,26,30)/b11-8+.
What are the key properties of (E)-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]-3-(4-methylphenyl)prop-2-enamide?
(E)-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]-3-(4-methylphenyl)prop-2-enamide has a molecular weight of 400.53 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]-3-(4-methylphenyl)prop-2-enamide is sourced from PubChem (CID 11516903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).