3-[7-chloro-3-(ethylamino)-6-methoxyquinoxalin-2-yl]benzamide

C18H17ClN4O2 — CID 56952631

IUPAC3-[7-chloro-3-(ethylamino)-6-methoxyquinoxalin-2-yl]benzamide
SMILESCCNc1nc2cc(OC)c(Cl)cc2nc1-c1cccc(C(N)=O)c1
InChIInChI=1S/C18H17ClN4O2/c1-3-21-18-16(10-5-4-6-11(7-10)17(20)24)22-13-8-12(19)15(25-2)9-14(13)23-18/h4-9H,3H2,1-2H3,(H2,20,24)(H,21,23)
InChIKeyJWCWRVUTDSCQFM-UHFFFAOYSA-N
MW356.81 g/mol
LogP3.49
Rot. Bonds5

About 3-[7-chloro-3-(ethylamino)-6-methoxyquinoxalin-2-yl]benzamide

3-[7-chloro-3-(ethylamino)-6-methoxyquinoxalin-2-yl]benzamide (PubChem CID 56952631) has the molecular formula C18H17ClN4O2 and a molecular weight of 356.81 g/mol. Its IUPAC name is 3-[7-chloro-3-(ethylamino)-6-methoxyquinoxalin-2-yl]benzamide.

Molecular Properties

Compound Name3-[7-chloro-3-(ethylamino)-6-methoxyquinoxalin-2-yl]benzamide
PubChem CID56952631
Molecular FormulaC18H17ClN4O2
Molecular Weight356.81 g/mol
Exact Mass356.10
IUPAC Name3-[7-chloro-3-(ethylamino)-6-methoxyquinoxalin-2-yl]benzamide
SMILESCCNc1nc2cc(OC)c(Cl)cc2nc1-c1cccc(C(N)=O)c1
InChIInChI=1S/C18H17ClN4O2/c1-3-21-18-16(10-5-4-6-11(7-10)17(20)24)22-13-8-12(19)15(25-2)9-14(13)23-18/h4-9H,3H2,1-2H3,(H2,20,24)(H,21,23)
InChIKeyJWCWRVUTDSCQFM-UHFFFAOYSA-N
XLogP3.49
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.81
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[7-chloro-3-(ethylamino)-6-methoxyquinoxalin-2-yl]benzamide?
The IUPAC name of 3-[7-chloro-3-(ethylamino)-6-methoxyquinoxalin-2-yl]benzamide (CID 56952631) is 3-[7-chloro-3-(ethylamino)-6-methoxyquinoxalin-2-yl]benzamide.
What is the SMILES notation for 3-[7-chloro-3-(ethylamino)-6-methoxyquinoxalin-2-yl]benzamide?
The canonical SMILES for 3-[7-chloro-3-(ethylamino)-6-methoxyquinoxalin-2-yl]benzamide is CCNc1nc2cc(OC)c(Cl)cc2nc1-c1cccc(C(N)=O)c1.
What is the InChIKey of 3-[7-chloro-3-(ethylamino)-6-methoxyquinoxalin-2-yl]benzamide?
The InChIKey is JWCWRVUTDSCQFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O2/c1-3-21-18-16(10-5-4-6-11(7-10)17(20)24)22-13-8-12(19)15(25-2)9-14(13)23-18/h4-9H,3H2,1-2H3,(H2,20,24)(H,21,23).
What are the key properties of 3-[7-chloro-3-(ethylamino)-6-methoxyquinoxalin-2-yl]benzamide?
3-[7-chloro-3-(ethylamino)-6-methoxyquinoxalin-2-yl]benzamide has a molecular weight of 356.81 g/mol, XLogP of 3.49, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[7-chloro-3-(ethylamino)-6-methoxyquinoxalin-2-yl]benzamide is sourced from PubChem (CID 56952631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).