6-chloro-N-ethyl-7-methoxy-3-(1H-pyrazol-4-yl)quinoxalin-2-amine

C14H14ClN5O — CID 56952636

IUPAC6-chloro-N-ethyl-7-methoxy-3-(1H-pyrazol-4-yl)quinoxalin-2-amine
SMILESCCNc1nc2cc(OC)c(Cl)cc2nc1-c1cn[nH]c1
InChIInChI=1S/C14H14ClN5O/c1-3-16-14-13(8-6-17-18-7-8)19-10-4-9(15)12(21-2)5-11(10)20-14/h4-7H,3H2,1-2H3,(H,16,20)(H,17,18)
InChIKeyPPPAEPSEZSLSDG-UHFFFAOYSA-N
MW303.75 g/mol
LogP3.11
Rot. Bonds4

About 6-chloro-N-ethyl-7-methoxy-3-(1H-pyrazol-4-yl)quinoxalin-2-amine

6-chloro-N-ethyl-7-methoxy-3-(1H-pyrazol-4-yl)quinoxalin-2-amine (PubChem CID 56952636) has the molecular formula C14H14ClN5O and a molecular weight of 303.75 g/mol. Its IUPAC name is 6-chloro-N-ethyl-7-methoxy-3-(1H-pyrazol-4-yl)quinoxalin-2-amine.

Molecular Properties

Compound Name6-chloro-N-ethyl-7-methoxy-3-(1H-pyrazol-4-yl)quinoxalin-2-amine
PubChem CID56952636
Molecular FormulaC14H14ClN5O
Molecular Weight303.75 g/mol
Exact Mass303.09
IUPAC Name6-chloro-N-ethyl-7-methoxy-3-(1H-pyrazol-4-yl)quinoxalin-2-amine
SMILESCCNc1nc2cc(OC)c(Cl)cc2nc1-c1cn[nH]c1
InChIInChI=1S/C14H14ClN5O/c1-3-16-14-13(8-6-17-18-7-8)19-10-4-9(15)12(21-2)5-11(10)20-14/h4-7H,3H2,1-2H3,(H,16,20)(H,17,18)
InChIKeyPPPAEPSEZSLSDG-UHFFFAOYSA-N
XLogP3.11
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.75
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-ethyl-7-methoxy-3-(1H-pyrazol-4-yl)quinoxalin-2-amine?
The IUPAC name of 6-chloro-N-ethyl-7-methoxy-3-(1H-pyrazol-4-yl)quinoxalin-2-amine (CID 56952636) is 6-chloro-N-ethyl-7-methoxy-3-(1H-pyrazol-4-yl)quinoxalin-2-amine.
What is the SMILES notation for 6-chloro-N-ethyl-7-methoxy-3-(1H-pyrazol-4-yl)quinoxalin-2-amine?
The canonical SMILES for 6-chloro-N-ethyl-7-methoxy-3-(1H-pyrazol-4-yl)quinoxalin-2-amine is CCNc1nc2cc(OC)c(Cl)cc2nc1-c1cn[nH]c1.
What is the InChIKey of 6-chloro-N-ethyl-7-methoxy-3-(1H-pyrazol-4-yl)quinoxalin-2-amine?
The InChIKey is PPPAEPSEZSLSDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN5O/c1-3-16-14-13(8-6-17-18-7-8)19-10-4-9(15)12(21-2)5-11(10)20-14/h4-7H,3H2,1-2H3,(H,16,20)(H,17,18).
What are the key properties of 6-chloro-N-ethyl-7-methoxy-3-(1H-pyrazol-4-yl)quinoxalin-2-amine?
6-chloro-N-ethyl-7-methoxy-3-(1H-pyrazol-4-yl)quinoxalin-2-amine has a molecular weight of 303.75 g/mol, XLogP of 3.11, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-ethyl-7-methoxy-3-(1H-pyrazol-4-yl)quinoxalin-2-amine is sourced from PubChem (CID 56952636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).