6-chloro-N-[2-(4-methylpiperazin-1-yl)ethyl]-2-[(E)-2-pyridin-4-ylethenyl]quinolin-4-amine

C23H26ClN5 — CID 162668728

IUPAC6-chloro-N-[2-(4-methylpiperazin-1-yl)ethyl]-2-[(E)-2-pyridin-4-ylethenyl]quinolin-4-amine
SMILESCN1CCN(CCNc2cc(/C=C/c3ccncc3)nc3ccc(Cl)cc23)CC1
InChIInChI=1S/C23H26ClN5/c1-28-12-14-29(15-13-28)11-10-26-23-17-20(4-2-18-6-8-25-9-7-18)27-22-5-3-19(24)16-21(22)23/h2-9,16-17H,10-15H2,1H3,(H,26,27)/b4-2+
InChIKeyQHNYSDAQVHWJOS-DUXPYHPUSA-N
MW407.95 g/mol
LogP4.11
Rot. Bonds6

About 6-chloro-N-[2-(4-methylpiperazin-1-yl)ethyl]-2-[(E)-2-pyridin-4-ylethenyl]quinolin-4-amine

6-chloro-N-[2-(4-methylpiperazin-1-yl)ethyl]-2-[(E)-2-pyridin-4-ylethenyl]quinolin-4-amine (PubChem CID 162668728) has the molecular formula C23H26ClN5 and a molecular weight of 407.95 g/mol. Its IUPAC name is 6-chloro-N-[2-(4-methylpiperazin-1-yl)ethyl]-2-[(E)-2-pyridin-4-ylethenyl]quinolin-4-amine.

Molecular Properties

Compound Name6-chloro-N-[2-(4-methylpiperazin-1-yl)ethyl]-2-[(E)-2-pyridin-4-ylethenyl]quinolin-4-amine
PubChem CID162668728
Molecular FormulaC23H26ClN5
Molecular Weight407.95 g/mol
Exact Mass407.19
IUPAC Name6-chloro-N-[2-(4-methylpiperazin-1-yl)ethyl]-2-[(E)-2-pyridin-4-ylethenyl]quinolin-4-amine
SMILESCN1CCN(CCNc2cc(/C=C/c3ccncc3)nc3ccc(Cl)cc23)CC1
InChIInChI=1S/C23H26ClN5/c1-28-12-14-29(15-13-28)11-10-26-23-17-20(4-2-18-6-8-25-9-7-18)27-22-5-3-19(24)16-21(22)23/h2-9,16-17H,10-15H2,1H3,(H,26,27)/b4-2+
InChIKeyQHNYSDAQVHWJOS-DUXPYHPUSA-N
XLogP4.11
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.95
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-chloro-N-[2-(4-methylpiperazin-1-yl)ethyl]-2-[(E)-2-pyridin-4-ylethenyl]quinolin-4-amine 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 6-chloro-N-[2-(4-methylpiperazin-1-yl)ethyl]-2-[(E)-2-pyridin-4-ylethenyl]quinolin-4-amine?
The IUPAC name of 6-chloro-N-[2-(4-methylpiperazin-1-yl)ethyl]-2-[(E)-2-pyridin-4-ylethenyl]quinolin-4-amine (CID 162668728) is 6-chloro-N-[2-(4-methylpiperazin-1-yl)ethyl]-2-[(E)-2-pyridin-4-ylethenyl]quinolin-4-amine.
What is the SMILES notation for 6-chloro-N-[2-(4-methylpiperazin-1-yl)ethyl]-2-[(E)-2-pyridin-4-ylethenyl]quinolin-4-amine?
The canonical SMILES for 6-chloro-N-[2-(4-methylpiperazin-1-yl)ethyl]-2-[(E)-2-pyridin-4-ylethenyl]quinolin-4-amine is CN1CCN(CCNc2cc(/C=C/c3ccncc3)nc3ccc(Cl)cc23)CC1.
What is the InChIKey of 6-chloro-N-[2-(4-methylpiperazin-1-yl)ethyl]-2-[(E)-2-pyridin-4-ylethenyl]quinolin-4-amine?
The InChIKey is QHNYSDAQVHWJOS-DUXPYHPUSA-N. The full InChI is InChI=1S/C23H26ClN5/c1-28-12-14-29(15-13-28)11-10-26-23-17-20(4-2-18-6-8-25-9-7-18)27-22-5-3-19(24)16-21(22)23/h2-9,16-17H,10-15H2,1H3,(H,26,27)/b4-2+.
What are the key properties of 6-chloro-N-[2-(4-methylpiperazin-1-yl)ethyl]-2-[(E)-2-pyridin-4-ylethenyl]quinolin-4-amine?
6-chloro-N-[2-(4-methylpiperazin-1-yl)ethyl]-2-[(E)-2-pyridin-4-ylethenyl]quinolin-4-amine has a molecular weight of 407.95 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[2-(4-methylpiperazin-1-yl)ethyl]-2-[(E)-2-pyridin-4-ylethenyl]quinolin-4-amine is sourced from PubChem (CID 162668728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).