4-(6,7-dimethoxycinnolin-4-yl)-2-(4-methoxyphenyl)morpholine

C21H23N3O4 — CID 24748469

IUPAC4-(6,7-dimethoxycinnolin-4-yl)-2-(4-methoxyphenyl)morpholine
SMILESCOc1ccc(C2CN(c3cnnc4cc(OC)c(OC)cc34)CCO2)cc1
InChIInChI=1S/C21H23N3O4/c1-25-15-6-4-14(5-7-15)21-13-24(8-9-28-21)18-12-22-23-17-11-20(27-3)19(26-2)10-16(17)18/h4-7,10-12,21H,8-9,13H2,1-3H3
InChIKeyBWFITOPIYRSYCY-UHFFFAOYSA-N
MW381.43 g/mol
LogP3.23
Rot. Bonds5

About 4-(6,7-dimethoxycinnolin-4-yl)-2-(4-methoxyphenyl)morpholine

4-(6,7-dimethoxycinnolin-4-yl)-2-(4-methoxyphenyl)morpholine (PubChem CID 24748469) has the molecular formula C21H23N3O4 and a molecular weight of 381.43 g/mol. Its IUPAC name is 4-(6,7-dimethoxycinnolin-4-yl)-2-(4-methoxyphenyl)morpholine.

Molecular Properties

Compound Name4-(6,7-dimethoxycinnolin-4-yl)-2-(4-methoxyphenyl)morpholine
PubChem CID24748469
Molecular FormulaC21H23N3O4
Molecular Weight381.43 g/mol
Exact Mass381.17
IUPAC Name4-(6,7-dimethoxycinnolin-4-yl)-2-(4-methoxyphenyl)morpholine
SMILESCOc1ccc(C2CN(c3cnnc4cc(OC)c(OC)cc34)CCO2)cc1
InChIInChI=1S/C21H23N3O4/c1-25-15-6-4-14(5-7-15)21-13-24(8-9-28-21)18-12-22-23-17-11-20(27-3)19(26-2)10-16(17)18/h4-7,10-12,21H,8-9,13H2,1-3H3
InChIKeyBWFITOPIYRSYCY-UHFFFAOYSA-N
XLogP3.23
TPSA65.94 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(6,7-dimethoxycinnolin-4-yl)-2-(4-methoxyphenyl)morpholine?
The IUPAC name of 4-(6,7-dimethoxycinnolin-4-yl)-2-(4-methoxyphenyl)morpholine (CID 24748469) is 4-(6,7-dimethoxycinnolin-4-yl)-2-(4-methoxyphenyl)morpholine.
What is the SMILES notation for 4-(6,7-dimethoxycinnolin-4-yl)-2-(4-methoxyphenyl)morpholine?
The canonical SMILES for 4-(6,7-dimethoxycinnolin-4-yl)-2-(4-methoxyphenyl)morpholine is COc1ccc(C2CN(c3cnnc4cc(OC)c(OC)cc34)CCO2)cc1.
What is the InChIKey of 4-(6,7-dimethoxycinnolin-4-yl)-2-(4-methoxyphenyl)morpholine?
The InChIKey is BWFITOPIYRSYCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O4/c1-25-15-6-4-14(5-7-15)21-13-24(8-9-28-21)18-12-22-23-17-11-20(27-3)19(26-2)10-16(17)18/h4-7,10-12,21H,8-9,13H2,1-3H3.
What are the key properties of 4-(6,7-dimethoxycinnolin-4-yl)-2-(4-methoxyphenyl)morpholine?
4-(6,7-dimethoxycinnolin-4-yl)-2-(4-methoxyphenyl)morpholine has a molecular weight of 381.43 g/mol, XLogP of 3.23, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6,7-dimethoxycinnolin-4-yl)-2-(4-methoxyphenyl)morpholine is sourced from PubChem (CID 24748469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).