1-(4-methoxyphenyl)-1-(2-morpholin-4-ylquinazolin-4-yl)ethanol

C21H23N3O3 — CID 118736462

IUPAC1-(4-methoxyphenyl)-1-(2-morpholin-4-ylquinazolin-4-yl)ethanol
SMILESCOc1ccc(C(C)(O)c2nc(N3CCOCC3)nc3ccccc23)cc1
InChIInChI=1S/C21H23N3O3/c1-21(25,15-7-9-16(26-2)10-8-15)19-17-5-3-4-6-18(17)22-20(23-19)24-11-13-27-14-12-24/h3-10,25H,11-14H2,1-2H3
InChIKeyLVTOERKFLODUMJ-UHFFFAOYSA-N
MW365.43 g/mol
LogP2.73
Rot. Bonds4

About 1-(4-methoxyphenyl)-1-(2-morpholin-4-ylquinazolin-4-yl)ethanol

1-(4-methoxyphenyl)-1-(2-morpholin-4-ylquinazolin-4-yl)ethanol (PubChem CID 118736462) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-1-(2-morpholin-4-ylquinazolin-4-yl)ethanol.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-1-(2-morpholin-4-ylquinazolin-4-yl)ethanol
PubChem CID118736462
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name1-(4-methoxyphenyl)-1-(2-morpholin-4-ylquinazolin-4-yl)ethanol
SMILESCOc1ccc(C(C)(O)c2nc(N3CCOCC3)nc3ccccc23)cc1
InChIInChI=1S/C21H23N3O3/c1-21(25,15-7-9-16(26-2)10-8-15)19-17-5-3-4-6-18(17)22-20(23-19)24-11-13-27-14-12-24/h3-10,25H,11-14H2,1-2H3
InChIKeyLVTOERKFLODUMJ-UHFFFAOYSA-N
XLogP2.73
TPSA67.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-1-(2-morpholin-4-ylquinazolin-4-yl)ethanol?
The IUPAC name of 1-(4-methoxyphenyl)-1-(2-morpholin-4-ylquinazolin-4-yl)ethanol (CID 118736462) is 1-(4-methoxyphenyl)-1-(2-morpholin-4-ylquinazolin-4-yl)ethanol.
What is the SMILES notation for 1-(4-methoxyphenyl)-1-(2-morpholin-4-ylquinazolin-4-yl)ethanol?
The canonical SMILES for 1-(4-methoxyphenyl)-1-(2-morpholin-4-ylquinazolin-4-yl)ethanol is COc1ccc(C(C)(O)c2nc(N3CCOCC3)nc3ccccc23)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-1-(2-morpholin-4-ylquinazolin-4-yl)ethanol?
The InChIKey is LVTOERKFLODUMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-21(25,15-7-9-16(26-2)10-8-15)19-17-5-3-4-6-18(17)22-20(23-19)24-11-13-27-14-12-24/h3-10,25H,11-14H2,1-2H3.
What are the key properties of 1-(4-methoxyphenyl)-1-(2-morpholin-4-ylquinazolin-4-yl)ethanol?
1-(4-methoxyphenyl)-1-(2-morpholin-4-ylquinazolin-4-yl)ethanol has a molecular weight of 365.43 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-1-(2-morpholin-4-ylquinazolin-4-yl)ethanol is sourced from PubChem (CID 118736462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).