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

C22H22Cl2FN5 — CID 90038708

IUPACN-cyclopropyl-3-[4-[(2,5-dichlorophenyl)methyl]piperazin-1-yl]-7-fluoroquinoxalin-2-amine
SMILESFc1ccc2nc(N3CCN(Cc4cc(Cl)ccc4Cl)CC3)c(NC3CC3)nc2c1
InChIInChI=1S/C22H22Cl2FN5/c23-15-1-5-18(24)14(11-15)13-29-7-9-30(10-8-29)22-21(26-17-3-4-17)27-20-12-16(25)2-6-19(20)28-22/h1-2,5-6,11-12,17H,3-4,7-10,13H2,(H,26,27)
InChIKeyNJLQUNLPDMIGEG-UHFFFAOYSA-N
MW446.36 g/mol
LogP4.97
Rot. Bonds5

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

N-cyclopropyl-3-[4-[(2,5-dichlorophenyl)methyl]piperazin-1-yl]-7-fluoroquinoxalin-2-amine (PubChem CID 90038708) has the molecular formula C22H22Cl2FN5 and a molecular weight of 446.36 g/mol. Its IUPAC name is N-cyclopropyl-3-[4-[(2,5-dichlorophenyl)methyl]piperazin-1-yl]-7-fluoroquinoxalin-2-amine.

Molecular Properties

Compound NameN-cyclopropyl-3-[4-[(2,5-dichlorophenyl)methyl]piperazin-1-yl]-7-fluoroquinoxalin-2-amine
PubChem CID90038708
Molecular FormulaC22H22Cl2FN5
Molecular Weight446.36 g/mol
Exact Mass445.12
IUPAC NameN-cyclopropyl-3-[4-[(2,5-dichlorophenyl)methyl]piperazin-1-yl]-7-fluoroquinoxalin-2-amine
SMILESFc1ccc2nc(N3CCN(Cc4cc(Cl)ccc4Cl)CC3)c(NC3CC3)nc2c1
InChIInChI=1S/C22H22Cl2FN5/c23-15-1-5-18(24)14(11-15)13-29-7-9-30(10-8-29)22-21(26-17-3-4-17)27-20-12-16(25)2-6-19(20)28-22/h1-2,5-6,11-12,17H,3-4,7-10,13H2,(H,26,27)
InChIKeyNJLQUNLPDMIGEG-UHFFFAOYSA-N
XLogP4.97
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.36
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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-fluoroquinoxalin-2-amine?
The IUPAC name of N-cyclopropyl-3-[4-[(2,5-dichlorophenyl)methyl]piperazin-1-yl]-7-fluoroquinoxalin-2-amine (CID 90038708) is N-cyclopropyl-3-[4-[(2,5-dichlorophenyl)methyl]piperazin-1-yl]-7-fluoroquinoxalin-2-amine.
What is the SMILES notation for N-cyclopropyl-3-[4-[(2,5-dichlorophenyl)methyl]piperazin-1-yl]-7-fluoroquinoxalin-2-amine?
The canonical SMILES for N-cyclopropyl-3-[4-[(2,5-dichlorophenyl)methyl]piperazin-1-yl]-7-fluoroquinoxalin-2-amine is Fc1ccc2nc(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-fluoroquinoxalin-2-amine?
The InChIKey is NJLQUNLPDMIGEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22Cl2FN5/c23-15-1-5-18(24)14(11-15)13-29-7-9-30(10-8-29)22-21(26-17-3-4-17)27-20-12-16(25)2-6-19(20)28-22/h1-2,5-6,11-12,17H,3-4,7-10,13H2,(H,26,27).
What are the key properties of N-cyclopropyl-3-[4-[(2,5-dichlorophenyl)methyl]piperazin-1-yl]-7-fluoroquinoxalin-2-amine?
N-cyclopropyl-3-[4-[(2,5-dichlorophenyl)methyl]piperazin-1-yl]-7-fluoroquinoxalin-2-amine has a molecular weight of 446.36 g/mol, XLogP of 4.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[4-[(2,5-dichlorophenyl)methyl]piperazin-1-yl]-7-fluoroquinoxalin-2-amine is sourced from PubChem (CID 90038708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).