3-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-N-pyridin-3-ylquinoxalin-2-amine

C24H23ClN6 — CID 90037613

IUPAC3-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-N-pyridin-3-ylquinoxalin-2-amine
SMILESClc1cccc(CN2CCN(c3nc4ccccc4nc3Nc3cccnc3)CC2)c1
InChIInChI=1S/C24H23ClN6/c25-19-6-3-5-18(15-19)17-30-11-13-31(14-12-30)24-23(27-20-7-4-10-26-16-20)28-21-8-1-2-9-22(21)29-24/h1-10,15-16H,11-14,17H2,(H,27,28)
InChIKeyCUBCBDKOTZUSIH-UHFFFAOYSA-N
MW430.94 g/mol
LogP4.74
Rot. Bonds5

About 3-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-N-pyridin-3-ylquinoxalin-2-amine

3-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-N-pyridin-3-ylquinoxalin-2-amine (PubChem CID 90037613) has the molecular formula C24H23ClN6 and a molecular weight of 430.94 g/mol. Its IUPAC name is 3-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-N-pyridin-3-ylquinoxalin-2-amine.

Molecular Properties

Compound Name3-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-N-pyridin-3-ylquinoxalin-2-amine
PubChem CID90037613
Molecular FormulaC24H23ClN6
Molecular Weight430.94 g/mol
Exact Mass430.17
IUPAC Name3-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-N-pyridin-3-ylquinoxalin-2-amine
SMILESClc1cccc(CN2CCN(c3nc4ccccc4nc3Nc3cccnc3)CC2)c1
InChIInChI=1S/C24H23ClN6/c25-19-6-3-5-18(15-19)17-30-11-13-31(14-12-30)24-23(27-20-7-4-10-26-16-20)28-21-8-1-2-9-22(21)29-24/h1-10,15-16H,11-14,17H2,(H,27,28)
InChIKeyCUBCBDKOTZUSIH-UHFFFAOYSA-N
XLogP4.74
TPSA57.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.94
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-N-pyridin-3-ylquinoxalin-2-amine 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

3-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-N-pyrimidin-5-ylquinoxalin-2-amine
CID 90037579
3-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-N-(4-methylphenyl)quinoxalin-2-amine;2,2,2-trifluoroacetic acid
CID 127024389
3-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-N-(4-propan-2-yloxyphenyl)quinoxalin-2-amine;2,2,2-trifluoroacetic acid
CID 172772216
N-cyclopropyl-3-[4-[(3,5-dichlorophenyl)methyl]piperazin-1-yl]quinoxalin-2-amine
CID 90040007
1-[(3-chlorophenyl)methyl]-4-(3-chloro-4-pyridinyl)piperazine
CID 133358248
3-methyl-2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoline
CID 166225630
2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-3-methoxypyrazine
CID 72866776
3-[4-[(2,5-dichlorophenyl)methyl]piperazin-1-yl]-N-(5,6-dimethyl-1,2,4-triazin-3-yl)quinoxalin-2-amine
CID 90039194
N-(3-chlorophenyl)-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinazolin-4-amine
CID 21004296
3-chloro-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]isoquinoline
CID 154878499
3-(4-benzylpiperazin-1-yl)-N-(3-chlorophenyl)-1,2,4-triazin-5-amine
CID 112955407
2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxaline
CID 33378276

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-N-pyridin-3-ylquinoxalin-2-amine?
The IUPAC name of 3-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-N-pyridin-3-ylquinoxalin-2-amine (CID 90037613) is 3-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-N-pyridin-3-ylquinoxalin-2-amine.
What is the SMILES notation for 3-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-N-pyridin-3-ylquinoxalin-2-amine?
The canonical SMILES for 3-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-N-pyridin-3-ylquinoxalin-2-amine is Clc1cccc(CN2CCN(c3nc4ccccc4nc3Nc3cccnc3)CC2)c1.
What is the InChIKey of 3-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-N-pyridin-3-ylquinoxalin-2-amine?
The InChIKey is CUBCBDKOTZUSIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN6/c25-19-6-3-5-18(15-19)17-30-11-13-31(14-12-30)24-23(27-20-7-4-10-26-16-20)28-21-8-1-2-9-22(21)29-24/h1-10,15-16H,11-14,17H2,(H,27,28).
What are the key properties of 3-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-N-pyridin-3-ylquinoxalin-2-amine?
3-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-N-pyridin-3-ylquinoxalin-2-amine has a molecular weight of 430.94 g/mol, XLogP of 4.74, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-N-pyridin-3-ylquinoxalin-2-amine is sourced from PubChem (CID 90037613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).