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

C15H16ClN5O — CID 56952731

IUPAC6-chloro-N-ethyl-7-methoxy-3-(1-methylpyrazol-4-yl)quinoxalin-2-amine
SMILESCCNc1nc2cc(OC)c(Cl)cc2nc1-c1cnn(C)c1
InChIInChI=1S/C15H16ClN5O/c1-4-17-15-14(9-7-18-21(2)8-9)19-11-5-10(16)13(22-3)6-12(11)20-15/h5-8H,4H2,1-3H3,(H,17,20)
InChIKeyKAEAWKSCTJUQDA-UHFFFAOYSA-N
MW317.78 g/mol
LogP3.12
Rot. Bonds4

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

6-chloro-N-ethyl-7-methoxy-3-(1-methylpyrazol-4-yl)quinoxalin-2-amine (PubChem CID 56952731) has the molecular formula C15H16ClN5O and a molecular weight of 317.78 g/mol. Its IUPAC name is 6-chloro-N-ethyl-7-methoxy-3-(1-methylpyrazol-4-yl)quinoxalin-2-amine.

Molecular Properties

Compound Name6-chloro-N-ethyl-7-methoxy-3-(1-methylpyrazol-4-yl)quinoxalin-2-amine
PubChem CID56952731
Molecular FormulaC15H16ClN5O
Molecular Weight317.78 g/mol
Exact Mass317.10
IUPAC Name6-chloro-N-ethyl-7-methoxy-3-(1-methylpyrazol-4-yl)quinoxalin-2-amine
SMILESCCNc1nc2cc(OC)c(Cl)cc2nc1-c1cnn(C)c1
InChIInChI=1S/C15H16ClN5O/c1-4-17-15-14(9-7-18-21(2)8-9)19-11-5-10(16)13(22-3)6-12(11)20-15/h5-8H,4H2,1-3H3,(H,17,20)
InChIKeyKAEAWKSCTJUQDA-UHFFFAOYSA-N
XLogP3.12
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.78
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-ethyl-7-methoxy-3-(1-methylpyrazol-4-yl)quinoxalin-2-amine?
The IUPAC name of 6-chloro-N-ethyl-7-methoxy-3-(1-methylpyrazol-4-yl)quinoxalin-2-amine (CID 56952731) is 6-chloro-N-ethyl-7-methoxy-3-(1-methylpyrazol-4-yl)quinoxalin-2-amine.
What is the SMILES notation for 6-chloro-N-ethyl-7-methoxy-3-(1-methylpyrazol-4-yl)quinoxalin-2-amine?
The canonical SMILES for 6-chloro-N-ethyl-7-methoxy-3-(1-methylpyrazol-4-yl)quinoxalin-2-amine is CCNc1nc2cc(OC)c(Cl)cc2nc1-c1cnn(C)c1.
What is the InChIKey of 6-chloro-N-ethyl-7-methoxy-3-(1-methylpyrazol-4-yl)quinoxalin-2-amine?
The InChIKey is KAEAWKSCTJUQDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN5O/c1-4-17-15-14(9-7-18-21(2)8-9)19-11-5-10(16)13(22-3)6-12(11)20-15/h5-8H,4H2,1-3H3,(H,17,20).
What are the key properties of 6-chloro-N-ethyl-7-methoxy-3-(1-methylpyrazol-4-yl)quinoxalin-2-amine?
6-chloro-N-ethyl-7-methoxy-3-(1-methylpyrazol-4-yl)quinoxalin-2-amine has a molecular weight of 317.78 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-ethyl-7-methoxy-3-(1-methylpyrazol-4-yl)quinoxalin-2-amine is sourced from PubChem (CID 56952731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).