1-(3-morpholin-4-ylpropyl)-2-phenyl-5,6,7,8-tetrahydroquinazoline-4-thione

C21H27N3OS — CID 663906

IUPAC1-(3-morpholin-4-ylpropyl)-2-phenyl-5,6,7,8-tetrahydroquinazoline-4-thione
SMILESS=c1nc(-c2ccccc2)n(CCCN2CCOCC2)c2c1CCCC2
InChIInChI=1S/C21H27N3OS/c26-21-18-9-4-5-10-19(18)24(12-6-11-23-13-15-25-16-14-23)20(22-21)17-7-2-1-3-8-17/h1-3,7-8H,4-6,9-16H2
InChIKeyINLJGBZLHNFSTP-UHFFFAOYSA-N
MW369.53 g/mol
LogP3.88
Rot. Bonds5

About 1-(3-morpholin-4-ylpropyl)-2-phenyl-5,6,7,8-tetrahydroquinazoline-4-thione

1-(3-morpholin-4-ylpropyl)-2-phenyl-5,6,7,8-tetrahydroquinazoline-4-thione (PubChem CID 663906) has the molecular formula C21H27N3OS and a molecular weight of 369.53 g/mol. Its IUPAC name is 1-(3-morpholin-4-ylpropyl)-2-phenyl-5,6,7,8-tetrahydroquinazoline-4-thione.

Molecular Properties

Compound Name1-(3-morpholin-4-ylpropyl)-2-phenyl-5,6,7,8-tetrahydroquinazoline-4-thione
PubChem CID663906
Molecular FormulaC21H27N3OS
Molecular Weight369.53 g/mol
Exact Mass369.19
IUPAC Name1-(3-morpholin-4-ylpropyl)-2-phenyl-5,6,7,8-tetrahydroquinazoline-4-thione
SMILESS=c1nc(-c2ccccc2)n(CCCN2CCOCC2)c2c1CCCC2
InChIInChI=1S/C21H27N3OS/c26-21-18-9-4-5-10-19(18)24(12-6-11-23-13-15-25-16-14-23)20(22-21)17-7-2-1-3-8-17/h1-3,7-8H,4-6,9-16H2
InChIKeyINLJGBZLHNFSTP-UHFFFAOYSA-N
XLogP3.88
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.53
LogP ≤ 53.88
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-(3-morpholin-4-ylpropyl)-2-phenyl-5,6,7,8-tetrahydroquinazoline-4-thione?
The IUPAC name of 1-(3-morpholin-4-ylpropyl)-2-phenyl-5,6,7,8-tetrahydroquinazoline-4-thione (CID 663906) is 1-(3-morpholin-4-ylpropyl)-2-phenyl-5,6,7,8-tetrahydroquinazoline-4-thione.
What is the SMILES notation for 1-(3-morpholin-4-ylpropyl)-2-phenyl-5,6,7,8-tetrahydroquinazoline-4-thione?
The canonical SMILES for 1-(3-morpholin-4-ylpropyl)-2-phenyl-5,6,7,8-tetrahydroquinazoline-4-thione is S=c1nc(-c2ccccc2)n(CCCN2CCOCC2)c2c1CCCC2.
What is the InChIKey of 1-(3-morpholin-4-ylpropyl)-2-phenyl-5,6,7,8-tetrahydroquinazoline-4-thione?
The InChIKey is INLJGBZLHNFSTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3OS/c26-21-18-9-4-5-10-19(18)24(12-6-11-23-13-15-25-16-14-23)20(22-21)17-7-2-1-3-8-17/h1-3,7-8H,4-6,9-16H2.
What are the key properties of 1-(3-morpholin-4-ylpropyl)-2-phenyl-5,6,7,8-tetrahydroquinazoline-4-thione?
1-(3-morpholin-4-ylpropyl)-2-phenyl-5,6,7,8-tetrahydroquinazoline-4-thione has a molecular weight of 369.53 g/mol, XLogP of 3.88, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-morpholin-4-ylpropyl)-2-phenyl-5,6,7,8-tetrahydroquinazoline-4-thione is sourced from PubChem (CID 663906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).