6-[4-(8-chloroquinoxalin-2-yl)pyrazol-1-yl]hexan-1-amine

C17H20ClN5 — CID 170778147

IUPAC6-[4-(8-chloroquinoxalin-2-yl)pyrazol-1-yl]hexan-1-amine
SMILESNCCCCCCn1cc(-c2cnc3cccc(Cl)c3n2)cn1
InChIInChI=1S/C17H20ClN5/c18-14-6-5-7-15-17(14)22-16(11-20-15)13-10-21-23(12-13)9-4-2-1-3-8-19/h5-7,10-12H,1-4,8-9,19H2
InChIKeyBPRIIEUIXDCGRB-UHFFFAOYSA-N
MW329.84 g/mol
LogP3.67
Rot. Bonds7

About 6-[4-(8-chloroquinoxalin-2-yl)pyrazol-1-yl]hexan-1-amine

6-[4-(8-chloroquinoxalin-2-yl)pyrazol-1-yl]hexan-1-amine (PubChem CID 170778147) has the molecular formula C17H20ClN5 and a molecular weight of 329.84 g/mol. Its IUPAC name is 6-[4-(8-chloroquinoxalin-2-yl)pyrazol-1-yl]hexan-1-amine.

Molecular Properties

Compound Name6-[4-(8-chloroquinoxalin-2-yl)pyrazol-1-yl]hexan-1-amine
PubChem CID170778147
Molecular FormulaC17H20ClN5
Molecular Weight329.84 g/mol
Exact Mass329.14
IUPAC Name6-[4-(8-chloroquinoxalin-2-yl)pyrazol-1-yl]hexan-1-amine
SMILESNCCCCCCn1cc(-c2cnc3cccc(Cl)c3n2)cn1
InChIInChI=1S/C17H20ClN5/c18-14-6-5-7-15-17(14)22-16(11-20-15)13-10-21-23(12-13)9-4-2-1-3-8-19/h5-7,10-12H,1-4,8-9,19H2
InChIKeyBPRIIEUIXDCGRB-UHFFFAOYSA-N
XLogP3.67
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.84
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(8-chloroquinoxalin-2-yl)pyrazol-1-yl]hexan-1-amine?
The IUPAC name of 6-[4-(8-chloroquinoxalin-2-yl)pyrazol-1-yl]hexan-1-amine (CID 170778147) is 6-[4-(8-chloroquinoxalin-2-yl)pyrazol-1-yl]hexan-1-amine.
What is the SMILES notation for 6-[4-(8-chloroquinoxalin-2-yl)pyrazol-1-yl]hexan-1-amine?
The canonical SMILES for 6-[4-(8-chloroquinoxalin-2-yl)pyrazol-1-yl]hexan-1-amine is NCCCCCCn1cc(-c2cnc3cccc(Cl)c3n2)cn1.
What is the InChIKey of 6-[4-(8-chloroquinoxalin-2-yl)pyrazol-1-yl]hexan-1-amine?
The InChIKey is BPRIIEUIXDCGRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN5/c18-14-6-5-7-15-17(14)22-16(11-20-15)13-10-21-23(12-13)9-4-2-1-3-8-19/h5-7,10-12H,1-4,8-9,19H2.
What are the key properties of 6-[4-(8-chloroquinoxalin-2-yl)pyrazol-1-yl]hexan-1-amine?
6-[4-(8-chloroquinoxalin-2-yl)pyrazol-1-yl]hexan-1-amine has a molecular weight of 329.84 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(8-chloroquinoxalin-2-yl)pyrazol-1-yl]hexan-1-amine is sourced from PubChem (CID 170778147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).