3-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-N-pyrimidin-5-ylquinoxalin-2-amine

C23H22ClN7 — CID 90037579

IUPAC3-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-N-pyrimidin-5-ylquinoxalin-2-amine
SMILESClc1cccc(CN2CCN(c3nc4ccccc4nc3Nc3cncnc3)CC2)c1
InChIInChI=1S/C23H22ClN7/c24-18-5-3-4-17(12-18)15-30-8-10-31(11-9-30)23-22(27-19-13-25-16-26-14-19)28-20-6-1-2-7-21(20)29-23/h1-7,12-14,16H,8-11,15H2,(H,27,28)
InChIKeySUKVNZRMHZZMGP-UHFFFAOYSA-N
MW431.93 g/mol
LogP4.14
Rot. Bonds5

About 3-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-N-pyrimidin-5-ylquinoxalin-2-amine

3-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-N-pyrimidin-5-ylquinoxalin-2-amine (PubChem CID 90037579) has the molecular formula C23H22ClN7 and a molecular weight of 431.93 g/mol. Its IUPAC name is 3-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-N-pyrimidin-5-ylquinoxalin-2-amine.

Molecular Properties

Compound Name3-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-N-pyrimidin-5-ylquinoxalin-2-amine
PubChem CID90037579
Molecular FormulaC23H22ClN7
Molecular Weight431.93 g/mol
Exact Mass431.16
IUPAC Name3-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-N-pyrimidin-5-ylquinoxalin-2-amine
SMILESClc1cccc(CN2CCN(c3nc4ccccc4nc3Nc3cncnc3)CC2)c1
InChIInChI=1S/C23H22ClN7/c24-18-5-3-4-17(12-18)15-30-8-10-31(11-9-30)23-22(27-19-13-25-16-26-14-19)28-20-6-1-2-7-21(20)29-23/h1-7,12-14,16H,8-11,15H2,(H,27,28)
InChIKeySUKVNZRMHZZMGP-UHFFFAOYSA-N
XLogP4.14
TPSA70.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.93
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-N-pyridin-3-ylquinoxalin-2-amine
CID 90037613
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
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
4-(4-benzylpiperazin-1-yl)-5-chloropyrimidine
CID 130167475
N-cyclobutyl-3-[4-[(2,5-dichlorophenyl)methyl]piperazin-1-yl]quinoxalin-2-amine
CID 90037561
3-(4-benzylpiperazin-1-yl)-N-(3-chlorophenyl)-1,2,4-triazin-5-amine
CID 112955407
1-[(3-chlorophenyl)methyl]pyrrolidine
CID 12738005
N-(3-chlorophenyl)-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinazolin-4-amine
CID 21004296

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-N-pyrimidin-5-ylquinoxalin-2-amine?
The IUPAC name of 3-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-N-pyrimidin-5-ylquinoxalin-2-amine (CID 90037579) is 3-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-N-pyrimidin-5-ylquinoxalin-2-amine.
What is the SMILES notation for 3-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-N-pyrimidin-5-ylquinoxalin-2-amine?
The canonical SMILES for 3-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-N-pyrimidin-5-ylquinoxalin-2-amine is Clc1cccc(CN2CCN(c3nc4ccccc4nc3Nc3cncnc3)CC2)c1.
What is the InChIKey of 3-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-N-pyrimidin-5-ylquinoxalin-2-amine?
The InChIKey is SUKVNZRMHZZMGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN7/c24-18-5-3-4-17(12-18)15-30-8-10-31(11-9-30)23-22(27-19-13-25-16-26-14-19)28-20-6-1-2-7-21(20)29-23/h1-7,12-14,16H,8-11,15H2,(H,27,28).
What are the key properties of 3-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-N-pyrimidin-5-ylquinoxalin-2-amine?
3-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-N-pyrimidin-5-ylquinoxalin-2-amine has a molecular weight of 431.93 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-N-pyrimidin-5-ylquinoxalin-2-amine is sourced from PubChem (CID 90037579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).