2-(4-propylmorpholin-2-yl)-5,6,7,8-tetrahydro-1H-quinazoline-4-thione

C15H23N3OS — CID 106477092

IUPAC2-(4-propylmorpholin-2-yl)-5,6,7,8-tetrahydro-1H-quinazoline-4-thione
SMILESCCCN1CCOC(c2nc(=S)c3c([nH]2)CCCC3)C1
InChIInChI=1S/C15H23N3OS/c1-2-7-18-8-9-19-13(10-18)14-16-12-6-4-3-5-11(12)15(20)17-14/h13H,2-10H2,1H3,(H,16,17,20)
InChIKeySEPKUERKDSPSSO-UHFFFAOYSA-N
MW293.44 g/mol
LogP2.80
Rot. Bonds3

About 2-(4-propylmorpholin-2-yl)-5,6,7,8-tetrahydro-1H-quinazoline-4-thione

2-(4-propylmorpholin-2-yl)-5,6,7,8-tetrahydro-1H-quinazoline-4-thione (PubChem CID 106477092) has the molecular formula C15H23N3OS and a molecular weight of 293.44 g/mol. Its IUPAC name is 2-(4-propylmorpholin-2-yl)-5,6,7,8-tetrahydro-1H-quinazoline-4-thione.

Molecular Properties

Compound Name2-(4-propylmorpholin-2-yl)-5,6,7,8-tetrahydro-1H-quinazoline-4-thione
PubChem CID106477092
Molecular FormulaC15H23N3OS
Molecular Weight293.44 g/mol
Exact Mass293.16
IUPAC Name2-(4-propylmorpholin-2-yl)-5,6,7,8-tetrahydro-1H-quinazoline-4-thione
SMILESCCCN1CCOC(c2nc(=S)c3c([nH]2)CCCC3)C1
InChIInChI=1S/C15H23N3OS/c1-2-7-18-8-9-19-13(10-18)14-16-12-6-4-3-5-11(12)15(20)17-14/h13H,2-10H2,1H3,(H,16,17,20)
InChIKeySEPKUERKDSPSSO-UHFFFAOYSA-N
XLogP2.80
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.44
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 2-(4-propylmorpholin-2-yl)-5,6,7,8-tetrahydro-1H-quinazoline-4-thione?
The IUPAC name of 2-(4-propylmorpholin-2-yl)-5,6,7,8-tetrahydro-1H-quinazoline-4-thione (CID 106477092) is 2-(4-propylmorpholin-2-yl)-5,6,7,8-tetrahydro-1H-quinazoline-4-thione.
What is the SMILES notation for 2-(4-propylmorpholin-2-yl)-5,6,7,8-tetrahydro-1H-quinazoline-4-thione?
The canonical SMILES for 2-(4-propylmorpholin-2-yl)-5,6,7,8-tetrahydro-1H-quinazoline-4-thione is CCCN1CCOC(c2nc(=S)c3c([nH]2)CCCC3)C1.
What is the InChIKey of 2-(4-propylmorpholin-2-yl)-5,6,7,8-tetrahydro-1H-quinazoline-4-thione?
The InChIKey is SEPKUERKDSPSSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3OS/c1-2-7-18-8-9-19-13(10-18)14-16-12-6-4-3-5-11(12)15(20)17-14/h13H,2-10H2,1H3,(H,16,17,20).
What are the key properties of 2-(4-propylmorpholin-2-yl)-5,6,7,8-tetrahydro-1H-quinazoline-4-thione?
2-(4-propylmorpholin-2-yl)-5,6,7,8-tetrahydro-1H-quinazoline-4-thione has a molecular weight of 293.44 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propylmorpholin-2-yl)-5,6,7,8-tetrahydro-1H-quinazoline-4-thione is sourced from PubChem (CID 106477092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).