(3-morpholin-4-ylquinoxalin-2-yl)-(3,4,5-trimethoxyphenyl)methanone

C22H23N3O5 — CID 141466073

IUPAC(3-morpholin-4-ylquinoxalin-2-yl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2nc3ccccc3nc2N2CCOCC2)cc(OC)c1OC
InChIInChI=1S/C22H23N3O5/c1-27-17-12-14(13-18(28-2)21(17)29-3)20(26)19-22(25-8-10-30-11-9-25)24-16-7-5-4-6-15(16)23-19/h4-7,12-13H,8-11H2,1-3H3
InChIKeyRASDHHKHONBQRR-UHFFFAOYSA-N
MW409.44 g/mol
LogP2.72
Rot. Bonds6

About (3-morpholin-4-ylquinoxalin-2-yl)-(3,4,5-trimethoxyphenyl)methanone

(3-morpholin-4-ylquinoxalin-2-yl)-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 141466073) has the molecular formula C22H23N3O5 and a molecular weight of 409.44 g/mol. Its IUPAC name is (3-morpholin-4-ylquinoxalin-2-yl)-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name(3-morpholin-4-ylquinoxalin-2-yl)-(3,4,5-trimethoxyphenyl)methanone
PubChem CID141466073
Molecular FormulaC22H23N3O5
Molecular Weight409.44 g/mol
Exact Mass409.16
IUPAC Name(3-morpholin-4-ylquinoxalin-2-yl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2nc3ccccc3nc2N2CCOCC2)cc(OC)c1OC
InChIInChI=1S/C22H23N3O5/c1-27-17-12-14(13-18(28-2)21(17)29-3)20(26)19-22(25-8-10-30-11-9-25)24-16-7-5-4-6-15(16)23-19/h4-7,12-13H,8-11H2,1-3H3
InChIKeyRASDHHKHONBQRR-UHFFFAOYSA-N
XLogP2.72
TPSA83.01 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.44
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (3-morpholin-4-ylquinoxalin-2-yl)-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of (3-morpholin-4-ylquinoxalin-2-yl)-(3,4,5-trimethoxyphenyl)methanone (CID 141466073) is (3-morpholin-4-ylquinoxalin-2-yl)-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for (3-morpholin-4-ylquinoxalin-2-yl)-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for (3-morpholin-4-ylquinoxalin-2-yl)-(3,4,5-trimethoxyphenyl)methanone is COc1cc(C(=O)c2nc3ccccc3nc2N2CCOCC2)cc(OC)c1OC.
What is the InChIKey of (3-morpholin-4-ylquinoxalin-2-yl)-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is RASDHHKHONBQRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O5/c1-27-17-12-14(13-18(28-2)21(17)29-3)20(26)19-22(25-8-10-30-11-9-25)24-16-7-5-4-6-15(16)23-19/h4-7,12-13H,8-11H2,1-3H3.
What are the key properties of (3-morpholin-4-ylquinoxalin-2-yl)-(3,4,5-trimethoxyphenyl)methanone?
(3-morpholin-4-ylquinoxalin-2-yl)-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 409.44 g/mol, XLogP of 2.72, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3-morpholin-4-ylquinoxalin-2-yl)-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 141466073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).