6-chloro-N-ethyl-3-(1H-indol-4-yl)-7-methoxyquinoxalin-2-amine

C19H17ClN4O — CID 56952632

IUPAC6-chloro-N-ethyl-3-(1H-indol-4-yl)-7-methoxyquinoxalin-2-amine
SMILESCCNc1nc2cc(OC)c(Cl)cc2nc1-c1cccc2[nH]ccc12
InChIInChI=1S/C19H17ClN4O/c1-3-21-19-18(12-5-4-6-14-11(12)7-8-22-14)23-15-9-13(20)17(25-2)10-16(15)24-19/h4-10,22H,3H2,1-2H3,(H,21,24)
InChIKeyZJZLZZNFSZDXAZ-UHFFFAOYSA-N
MW352.83 g/mol
LogP4.87
Rot. Bonds4

About 6-chloro-N-ethyl-3-(1H-indol-4-yl)-7-methoxyquinoxalin-2-amine

6-chloro-N-ethyl-3-(1H-indol-4-yl)-7-methoxyquinoxalin-2-amine (PubChem CID 56952632) has the molecular formula C19H17ClN4O and a molecular weight of 352.83 g/mol. Its IUPAC name is 6-chloro-N-ethyl-3-(1H-indol-4-yl)-7-methoxyquinoxalin-2-amine.

Molecular Properties

Compound Name6-chloro-N-ethyl-3-(1H-indol-4-yl)-7-methoxyquinoxalin-2-amine
PubChem CID56952632
Molecular FormulaC19H17ClN4O
Molecular Weight352.83 g/mol
Exact Mass352.11
IUPAC Name6-chloro-N-ethyl-3-(1H-indol-4-yl)-7-methoxyquinoxalin-2-amine
SMILESCCNc1nc2cc(OC)c(Cl)cc2nc1-c1cccc2[nH]ccc12
InChIInChI=1S/C19H17ClN4O/c1-3-21-19-18(12-5-4-6-14-11(12)7-8-22-14)23-15-9-13(20)17(25-2)10-16(15)24-19/h4-10,22H,3H2,1-2H3,(H,21,24)
InChIKeyZJZLZZNFSZDXAZ-UHFFFAOYSA-N
XLogP4.87
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.83
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-ethyl-3-(1H-indol-4-yl)-7-methoxyquinoxalin-2-amine?
The IUPAC name of 6-chloro-N-ethyl-3-(1H-indol-4-yl)-7-methoxyquinoxalin-2-amine (CID 56952632) is 6-chloro-N-ethyl-3-(1H-indol-4-yl)-7-methoxyquinoxalin-2-amine.
What is the SMILES notation for 6-chloro-N-ethyl-3-(1H-indol-4-yl)-7-methoxyquinoxalin-2-amine?
The canonical SMILES for 6-chloro-N-ethyl-3-(1H-indol-4-yl)-7-methoxyquinoxalin-2-amine is CCNc1nc2cc(OC)c(Cl)cc2nc1-c1cccc2[nH]ccc12.
What is the InChIKey of 6-chloro-N-ethyl-3-(1H-indol-4-yl)-7-methoxyquinoxalin-2-amine?
The InChIKey is ZJZLZZNFSZDXAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O/c1-3-21-19-18(12-5-4-6-14-11(12)7-8-22-14)23-15-9-13(20)17(25-2)10-16(15)24-19/h4-10,22H,3H2,1-2H3,(H,21,24).
What are the key properties of 6-chloro-N-ethyl-3-(1H-indol-4-yl)-7-methoxyquinoxalin-2-amine?
6-chloro-N-ethyl-3-(1H-indol-4-yl)-7-methoxyquinoxalin-2-amine has a molecular weight of 352.83 g/mol, XLogP of 4.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-ethyl-3-(1H-indol-4-yl)-7-methoxyquinoxalin-2-amine is sourced from PubChem (CID 56952632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).