6-(2-chloroethyl)-7-methoxy-3-naphthalen-1-ylquinoxalin-2-amine

C21H18ClN3O — CID 123153916

IUPAC6-(2-chloroethyl)-7-methoxy-3-naphthalen-1-ylquinoxalin-2-amine
SMILESCOc1cc2nc(N)c(-c3cccc4ccccc34)nc2cc1CCCl
InChIInChI=1S/C21H18ClN3O/c1-26-19-12-18-17(11-14(19)9-10-22)24-20(21(23)25-18)16-8-4-6-13-5-2-3-7-15(13)16/h2-8,11-12H,9-10H2,1H3,(H2,23,25)
InChIKeyHKCZQUJQMMPCNJ-UHFFFAOYSA-N
MW363.85 g/mol
LogP4.82
Rot. Bonds4

About 6-(2-chloroethyl)-7-methoxy-3-naphthalen-1-ylquinoxalin-2-amine

6-(2-chloroethyl)-7-methoxy-3-naphthalen-1-ylquinoxalin-2-amine (PubChem CID 123153916) has the molecular formula C21H18ClN3O and a molecular weight of 363.85 g/mol. Its IUPAC name is 6-(2-chloroethyl)-7-methoxy-3-naphthalen-1-ylquinoxalin-2-amine.

Molecular Properties

Compound Name6-(2-chloroethyl)-7-methoxy-3-naphthalen-1-ylquinoxalin-2-amine
PubChem CID123153916
Molecular FormulaC21H18ClN3O
Molecular Weight363.85 g/mol
Exact Mass363.11
IUPAC Name6-(2-chloroethyl)-7-methoxy-3-naphthalen-1-ylquinoxalin-2-amine
SMILESCOc1cc2nc(N)c(-c3cccc4ccccc34)nc2cc1CCCl
InChIInChI=1S/C21H18ClN3O/c1-26-19-12-18-17(11-14(19)9-10-22)24-20(21(23)25-18)16-8-4-6-13-5-2-3-7-15(13)16/h2-8,11-12H,9-10H2,1H3,(H2,23,25)
InChIKeyHKCZQUJQMMPCNJ-UHFFFAOYSA-N
XLogP4.82
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.85
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(2-chloroethyl)-7-methoxy-3-naphthalen-1-ylquinoxalin-2-amine?
The IUPAC name of 6-(2-chloroethyl)-7-methoxy-3-naphthalen-1-ylquinoxalin-2-amine (CID 123153916) is 6-(2-chloroethyl)-7-methoxy-3-naphthalen-1-ylquinoxalin-2-amine.
What is the SMILES notation for 6-(2-chloroethyl)-7-methoxy-3-naphthalen-1-ylquinoxalin-2-amine?
The canonical SMILES for 6-(2-chloroethyl)-7-methoxy-3-naphthalen-1-ylquinoxalin-2-amine is COc1cc2nc(N)c(-c3cccc4ccccc34)nc2cc1CCCl.
What is the InChIKey of 6-(2-chloroethyl)-7-methoxy-3-naphthalen-1-ylquinoxalin-2-amine?
The InChIKey is HKCZQUJQMMPCNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN3O/c1-26-19-12-18-17(11-14(19)9-10-22)24-20(21(23)25-18)16-8-4-6-13-5-2-3-7-15(13)16/h2-8,11-12H,9-10H2,1H3,(H2,23,25).
What are the key properties of 6-(2-chloroethyl)-7-methoxy-3-naphthalen-1-ylquinoxalin-2-amine?
6-(2-chloroethyl)-7-methoxy-3-naphthalen-1-ylquinoxalin-2-amine has a molecular weight of 363.85 g/mol, XLogP of 4.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chloroethyl)-7-methoxy-3-naphthalen-1-ylquinoxalin-2-amine is sourced from PubChem (CID 123153916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).