2-(3,5-dimethoxyphenyl)-4-(6,7-dimethoxyquinazolin-4-yl)morpholine

C22H25N3O5 — CID 24855466

IUPAC2-(3,5-dimethoxyphenyl)-4-(6,7-dimethoxyquinazolin-4-yl)morpholine
SMILESCOc1cc(OC)cc(C2CN(c3ncnc4cc(OC)c(OC)cc34)CCO2)c1
InChIInChI=1S/C22H25N3O5/c1-26-15-7-14(8-16(9-15)27-2)21-12-25(5-6-30-21)22-17-10-19(28-3)20(29-4)11-18(17)23-13-24-22/h7-11,13,21H,5-6,12H2,1-4H3
InChIKeyHPQCEMHASSFJJV-UHFFFAOYSA-N
MW411.46 g/mol
LogP3.24
Rot. Bonds6

About 2-(3,5-dimethoxyphenyl)-4-(6,7-dimethoxyquinazolin-4-yl)morpholine

2-(3,5-dimethoxyphenyl)-4-(6,7-dimethoxyquinazolin-4-yl)morpholine (PubChem CID 24855466) has the molecular formula C22H25N3O5 and a molecular weight of 411.46 g/mol. Its IUPAC name is 2-(3,5-dimethoxyphenyl)-4-(6,7-dimethoxyquinazolin-4-yl)morpholine.

Molecular Properties

Compound Name2-(3,5-dimethoxyphenyl)-4-(6,7-dimethoxyquinazolin-4-yl)morpholine
PubChem CID24855466
Molecular FormulaC22H25N3O5
Molecular Weight411.46 g/mol
Exact Mass411.18
IUPAC Name2-(3,5-dimethoxyphenyl)-4-(6,7-dimethoxyquinazolin-4-yl)morpholine
SMILESCOc1cc(OC)cc(C2CN(c3ncnc4cc(OC)c(OC)cc34)CCO2)c1
InChIInChI=1S/C22H25N3O5/c1-26-15-7-14(8-16(9-15)27-2)21-12-25(5-6-30-21)22-17-10-19(28-3)20(29-4)11-18(17)23-13-24-22/h7-11,13,21H,5-6,12H2,1-4H3
InChIKeyHPQCEMHASSFJJV-UHFFFAOYSA-N
XLogP3.24
TPSA75.17 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.46
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethoxyphenyl)-4-(6,7-dimethoxyquinazolin-4-yl)morpholine?
The IUPAC name of 2-(3,5-dimethoxyphenyl)-4-(6,7-dimethoxyquinazolin-4-yl)morpholine (CID 24855466) is 2-(3,5-dimethoxyphenyl)-4-(6,7-dimethoxyquinazolin-4-yl)morpholine.
What is the SMILES notation for 2-(3,5-dimethoxyphenyl)-4-(6,7-dimethoxyquinazolin-4-yl)morpholine?
The canonical SMILES for 2-(3,5-dimethoxyphenyl)-4-(6,7-dimethoxyquinazolin-4-yl)morpholine is COc1cc(OC)cc(C2CN(c3ncnc4cc(OC)c(OC)cc34)CCO2)c1.
What is the InChIKey of 2-(3,5-dimethoxyphenyl)-4-(6,7-dimethoxyquinazolin-4-yl)morpholine?
The InChIKey is HPQCEMHASSFJJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O5/c1-26-15-7-14(8-16(9-15)27-2)21-12-25(5-6-30-21)22-17-10-19(28-3)20(29-4)11-18(17)23-13-24-22/h7-11,13,21H,5-6,12H2,1-4H3.
What are the key properties of 2-(3,5-dimethoxyphenyl)-4-(6,7-dimethoxyquinazolin-4-yl)morpholine?
2-(3,5-dimethoxyphenyl)-4-(6,7-dimethoxyquinazolin-4-yl)morpholine has a molecular weight of 411.46 g/mol, XLogP of 3.24, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethoxyphenyl)-4-(6,7-dimethoxyquinazolin-4-yl)morpholine is sourced from PubChem (CID 24855466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).