N-cyclopropyl-3-[4-[(2,5-dichlorophenyl)methyl]piperazin-1-yl]-7-methoxyquinoxalin-2-amine

C23H25Cl2N5O — CID 90038411

IUPACN-cyclopropyl-3-[4-[(2,5-dichlorophenyl)methyl]piperazin-1-yl]-7-methoxyquinoxalin-2-amine
SMILESCOc1ccc2nc(N3CCN(Cc4cc(Cl)ccc4Cl)CC3)c(NC3CC3)nc2c1
InChIInChI=1S/C23H25Cl2N5O/c1-31-18-5-7-20-21(13-18)27-22(26-17-3-4-17)23(28-20)30-10-8-29(9-11-30)14-15-12-16(24)2-6-19(15)25/h2,5-7,12-13,17H,3-4,8-11,14H2,1H3,(H,26,27)
InChIKeyAKHUWDKCXHSVEJ-UHFFFAOYSA-N
MW458.39 g/mol
LogP4.84
Rot. Bonds6

About N-cyclopropyl-3-[4-[(2,5-dichlorophenyl)methyl]piperazin-1-yl]-7-methoxyquinoxalin-2-amine

N-cyclopropyl-3-[4-[(2,5-dichlorophenyl)methyl]piperazin-1-yl]-7-methoxyquinoxalin-2-amine (PubChem CID 90038411) has the molecular formula C23H25Cl2N5O and a molecular weight of 458.39 g/mol. Its IUPAC name is N-cyclopropyl-3-[4-[(2,5-dichlorophenyl)methyl]piperazin-1-yl]-7-methoxyquinoxalin-2-amine.

Molecular Properties

Compound NameN-cyclopropyl-3-[4-[(2,5-dichlorophenyl)methyl]piperazin-1-yl]-7-methoxyquinoxalin-2-amine
PubChem CID90038411
Molecular FormulaC23H25Cl2N5O
Molecular Weight458.39 g/mol
Exact Mass457.14
IUPAC NameN-cyclopropyl-3-[4-[(2,5-dichlorophenyl)methyl]piperazin-1-yl]-7-methoxyquinoxalin-2-amine
SMILESCOc1ccc2nc(N3CCN(Cc4cc(Cl)ccc4Cl)CC3)c(NC3CC3)nc2c1
InChIInChI=1S/C23H25Cl2N5O/c1-31-18-5-7-20-21(13-18)27-22(26-17-3-4-17)23(28-20)30-10-8-29(9-11-30)14-15-12-16(24)2-6-19(15)25/h2,5-7,12-13,17H,3-4,8-11,14H2,1H3,(H,26,27)
InChIKeyAKHUWDKCXHSVEJ-UHFFFAOYSA-N
XLogP4.84
TPSA53.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.39
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[4-[(2,5-dichlorophenyl)methyl]piperazin-1-yl]-7-methoxyquinoxalin-2-amine?
The IUPAC name of N-cyclopropyl-3-[4-[(2,5-dichlorophenyl)methyl]piperazin-1-yl]-7-methoxyquinoxalin-2-amine (CID 90038411) is N-cyclopropyl-3-[4-[(2,5-dichlorophenyl)methyl]piperazin-1-yl]-7-methoxyquinoxalin-2-amine.
What is the SMILES notation for N-cyclopropyl-3-[4-[(2,5-dichlorophenyl)methyl]piperazin-1-yl]-7-methoxyquinoxalin-2-amine?
The canonical SMILES for N-cyclopropyl-3-[4-[(2,5-dichlorophenyl)methyl]piperazin-1-yl]-7-methoxyquinoxalin-2-amine is COc1ccc2nc(N3CCN(Cc4cc(Cl)ccc4Cl)CC3)c(NC3CC3)nc2c1.
What is the InChIKey of N-cyclopropyl-3-[4-[(2,5-dichlorophenyl)methyl]piperazin-1-yl]-7-methoxyquinoxalin-2-amine?
The InChIKey is AKHUWDKCXHSVEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25Cl2N5O/c1-31-18-5-7-20-21(13-18)27-22(26-17-3-4-17)23(28-20)30-10-8-29(9-11-30)14-15-12-16(24)2-6-19(15)25/h2,5-7,12-13,17H,3-4,8-11,14H2,1H3,(H,26,27).
What are the key properties of N-cyclopropyl-3-[4-[(2,5-dichlorophenyl)methyl]piperazin-1-yl]-7-methoxyquinoxalin-2-amine?
N-cyclopropyl-3-[4-[(2,5-dichlorophenyl)methyl]piperazin-1-yl]-7-methoxyquinoxalin-2-amine has a molecular weight of 458.39 g/mol, XLogP of 4.84, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[4-[(2,5-dichlorophenyl)methyl]piperazin-1-yl]-7-methoxyquinoxalin-2-amine is sourced from PubChem (CID 90038411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).