1-[(4-methoxyphenyl)methyl]-3-morpholin-4-ylquinoxalin-2-one

C20H21N3O3 — CID 141409583

IUPAC1-[(4-methoxyphenyl)methyl]-3-morpholin-4-ylquinoxalin-2-one
SMILESCOc1ccc(Cn2c(=O)c(N3CCOCC3)nc3ccccc32)cc1
InChIInChI=1S/C20H21N3O3/c1-25-16-8-6-15(7-9-16)14-23-18-5-3-2-4-17(18)21-19(20(23)24)22-10-12-26-13-11-22/h2-9H,10-14H2,1H3
InChIKeyPYZNSSSAWZUQSA-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.29
Rot. Bonds4

About 1-[(4-methoxyphenyl)methyl]-3-morpholin-4-ylquinoxalin-2-one

1-[(4-methoxyphenyl)methyl]-3-morpholin-4-ylquinoxalin-2-one (PubChem CID 141409583) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)methyl]-3-morpholin-4-ylquinoxalin-2-one.

Molecular Properties

Compound Name1-[(4-methoxyphenyl)methyl]-3-morpholin-4-ylquinoxalin-2-one
PubChem CID141409583
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Name1-[(4-methoxyphenyl)methyl]-3-morpholin-4-ylquinoxalin-2-one
SMILESCOc1ccc(Cn2c(=O)c(N3CCOCC3)nc3ccccc32)cc1
InChIInChI=1S/C20H21N3O3/c1-25-16-8-6-15(7-9-16)14-23-18-5-3-2-4-17(18)21-19(20(23)24)22-10-12-26-13-11-22/h2-9H,10-14H2,1H3
InChIKeyPYZNSSSAWZUQSA-UHFFFAOYSA-N
XLogP2.29
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxyphenyl)methyl]-3-morpholin-4-ylquinoxalin-2-one?
The IUPAC name of 1-[(4-methoxyphenyl)methyl]-3-morpholin-4-ylquinoxalin-2-one (CID 141409583) is 1-[(4-methoxyphenyl)methyl]-3-morpholin-4-ylquinoxalin-2-one.
What is the SMILES notation for 1-[(4-methoxyphenyl)methyl]-3-morpholin-4-ylquinoxalin-2-one?
The canonical SMILES for 1-[(4-methoxyphenyl)methyl]-3-morpholin-4-ylquinoxalin-2-one is COc1ccc(Cn2c(=O)c(N3CCOCC3)nc3ccccc32)cc1.
What is the InChIKey of 1-[(4-methoxyphenyl)methyl]-3-morpholin-4-ylquinoxalin-2-one?
The InChIKey is PYZNSSSAWZUQSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-25-16-8-6-15(7-9-16)14-23-18-5-3-2-4-17(18)21-19(20(23)24)22-10-12-26-13-11-22/h2-9H,10-14H2,1H3.
What are the key properties of 1-[(4-methoxyphenyl)methyl]-3-morpholin-4-ylquinoxalin-2-one?
1-[(4-methoxyphenyl)methyl]-3-morpholin-4-ylquinoxalin-2-one has a molecular weight of 351.41 g/mol, XLogP of 2.29, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxyphenyl)methyl]-3-morpholin-4-ylquinoxalin-2-one is sourced from PubChem (CID 141409583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).