1-(2-morpholin-4-ylethyl)-2-phenyl-5,6,7,8-tetrahydroquinazoline-4-thione

C20H25N3OS — CID 663369

IUPAC1-(2-morpholin-4-ylethyl)-2-phenyl-5,6,7,8-tetrahydroquinazoline-4-thione
SMILESS=c1nc(-c2ccccc2)n(CCN2CCOCC2)c2c1CCCC2
InChIInChI=1S/C20H25N3OS/c25-20-17-8-4-5-9-18(17)23(11-10-22-12-14-24-15-13-22)19(21-20)16-6-2-1-3-7-16/h1-3,6-7H,4-5,8-15H2
InChIKeyPVLIYOQYZLRABU-UHFFFAOYSA-N
MW355.51 g/mol
LogP3.49
Rot. Bonds4

About 1-(2-morpholin-4-ylethyl)-2-phenyl-5,6,7,8-tetrahydroquinazoline-4-thione

1-(2-morpholin-4-ylethyl)-2-phenyl-5,6,7,8-tetrahydroquinazoline-4-thione (PubChem CID 663369) has the molecular formula C20H25N3OS and a molecular weight of 355.51 g/mol. Its IUPAC name is 1-(2-morpholin-4-ylethyl)-2-phenyl-5,6,7,8-tetrahydroquinazoline-4-thione.

Molecular Properties

Compound Name1-(2-morpholin-4-ylethyl)-2-phenyl-5,6,7,8-tetrahydroquinazoline-4-thione
PubChem CID663369
Molecular FormulaC20H25N3OS
Molecular Weight355.51 g/mol
Exact Mass355.17
IUPAC Name1-(2-morpholin-4-ylethyl)-2-phenyl-5,6,7,8-tetrahydroquinazoline-4-thione
SMILESS=c1nc(-c2ccccc2)n(CCN2CCOCC2)c2c1CCCC2
InChIInChI=1S/C20H25N3OS/c25-20-17-8-4-5-9-18(17)23(11-10-22-12-14-24-15-13-22)19(21-20)16-6-2-1-3-7-16/h1-3,6-7H,4-5,8-15H2
InChIKeyPVLIYOQYZLRABU-UHFFFAOYSA-N
XLogP3.49
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.51
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-morpholin-4-ylethyl)-2-phenyl-5,6,7,8-tetrahydroquinazoline-4-thione?
The IUPAC name of 1-(2-morpholin-4-ylethyl)-2-phenyl-5,6,7,8-tetrahydroquinazoline-4-thione (CID 663369) is 1-(2-morpholin-4-ylethyl)-2-phenyl-5,6,7,8-tetrahydroquinazoline-4-thione.
What is the SMILES notation for 1-(2-morpholin-4-ylethyl)-2-phenyl-5,6,7,8-tetrahydroquinazoline-4-thione?
The canonical SMILES for 1-(2-morpholin-4-ylethyl)-2-phenyl-5,6,7,8-tetrahydroquinazoline-4-thione is S=c1nc(-c2ccccc2)n(CCN2CCOCC2)c2c1CCCC2.
What is the InChIKey of 1-(2-morpholin-4-ylethyl)-2-phenyl-5,6,7,8-tetrahydroquinazoline-4-thione?
The InChIKey is PVLIYOQYZLRABU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3OS/c25-20-17-8-4-5-9-18(17)23(11-10-22-12-14-24-15-13-22)19(21-20)16-6-2-1-3-7-16/h1-3,6-7H,4-5,8-15H2.
What are the key properties of 1-(2-morpholin-4-ylethyl)-2-phenyl-5,6,7,8-tetrahydroquinazoline-4-thione?
1-(2-morpholin-4-ylethyl)-2-phenyl-5,6,7,8-tetrahydroquinazoline-4-thione has a molecular weight of 355.51 g/mol, XLogP of 3.49, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-morpholin-4-ylethyl)-2-phenyl-5,6,7,8-tetrahydroquinazoline-4-thione is sourced from PubChem (CID 663369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).