(E)-3-(2-chlorophenyl)-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]prop-2-enamide

C25H27ClN4O — CID 45488246

IUPAC(E)-3-(2-chlorophenyl)-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]prop-2-enamide
SMILESCCN1CCN(c2cc(C)c3cc(NC(=O)/C=C/c4ccccc4Cl)ccc3n2)CC1
InChIInChI=1S/C25H27ClN4O/c1-3-29-12-14-30(15-13-29)24-16-18(2)21-17-20(9-10-23(21)28-24)27-25(31)11-8-19-6-4-5-7-22(19)26/h4-11,16-17H,3,12-15H2,1-2H3,(H,27,31)/b11-8+
InChIKeyJTPVKCHYAFRZLA-DHZHZOJOSA-N
MW434.97 g/mol
LogP4.99
Rot. Bonds5

About (E)-3-(2-chlorophenyl)-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]prop-2-enamide

(E)-3-(2-chlorophenyl)-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]prop-2-enamide (PubChem CID 45488246) has the molecular formula C25H27ClN4O and a molecular weight of 434.97 g/mol. Its IUPAC name is (E)-3-(2-chlorophenyl)-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-chlorophenyl)-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]prop-2-enamide
PubChem CID45488246
Molecular FormulaC25H27ClN4O
Molecular Weight434.97 g/mol
Exact Mass434.19
IUPAC Name(E)-3-(2-chlorophenyl)-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]prop-2-enamide
SMILESCCN1CCN(c2cc(C)c3cc(NC(=O)/C=C/c4ccccc4Cl)ccc3n2)CC1
InChIInChI=1S/C25H27ClN4O/c1-3-29-12-14-30(15-13-29)24-16-18(2)21-17-20(9-10-23(21)28-24)27-25(31)11-8-19-6-4-5-7-22(19)26/h4-11,16-17H,3,12-15H2,1-2H3,(H,27,31)/b11-8+
InChIKeyJTPVKCHYAFRZLA-DHZHZOJOSA-N
XLogP4.99
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.97
LogP ≤ 54.99
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)-3-(2-chlorophenyl)-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]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

Related Compounds

N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]benzamide
CID 46364144
3-chloro-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]benzamide
CID 15987637
2-(2-chloro-6-fluorophenyl)-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]acetamide
CID 22421740
3-(2,3-dimethoxyphenyl)-N-(4-methyl-2-piperidin-1-ylquinolin-6-yl)prop-2-enamide
CID 3490612
2-cyclopentyl-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]-2-phenylacetamide
CID 22421737
3-bromo-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]benzamide
CID 46364134
4-tert-butyl-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]benzamide
CID 44522357
2-(2,4-dichlorophenoxy)-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]acetamide
CID 58646209
(E)-N-[4-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinolin-6-yl]-3-(2-propan-2-yloxyphenyl)prop-2-enamide
CID 6047140
(E)-3-(furan-2-yl)-N-(4-methyl-2-piperidin-1-ylquinolin-6-yl)prop-2-enamide
CID 6248311
3-(4-chlorophenoxy)-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]propanamide
CID 142905279
3-(2,3-dimethoxyphenyl)-N-[4-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinolin-6-yl]prop-2-enamide
CID 4244682

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-chlorophenyl)-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]prop-2-enamide?
The IUPAC name of (E)-3-(2-chlorophenyl)-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]prop-2-enamide (CID 45488246) is (E)-3-(2-chlorophenyl)-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]prop-2-enamide.
What is the SMILES notation for (E)-3-(2-chlorophenyl)-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]prop-2-enamide?
The canonical SMILES for (E)-3-(2-chlorophenyl)-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]prop-2-enamide is CCN1CCN(c2cc(C)c3cc(NC(=O)/C=C/c4ccccc4Cl)ccc3n2)CC1.
What is the InChIKey of (E)-3-(2-chlorophenyl)-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]prop-2-enamide?
The InChIKey is JTPVKCHYAFRZLA-DHZHZOJOSA-N. The full InChI is InChI=1S/C25H27ClN4O/c1-3-29-12-14-30(15-13-29)24-16-18(2)21-17-20(9-10-23(21)28-24)27-25(31)11-8-19-6-4-5-7-22(19)26/h4-11,16-17H,3,12-15H2,1-2H3,(H,27,31)/b11-8+.
What are the key properties of (E)-3-(2-chlorophenyl)-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]prop-2-enamide?
(E)-3-(2-chlorophenyl)-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]prop-2-enamide has a molecular weight of 434.97 g/mol, XLogP of 4.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-chlorophenyl)-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]prop-2-enamide is sourced from PubChem (CID 45488246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).