6-morpholin-4-yl-3-(3-propan-2-yloxypropyl)-2-sulfanylidene-1H-quinazolin-4-one

C18H25N3O3S — CID 3240809

IUPAC6-morpholin-4-yl-3-(3-propan-2-yloxypropyl)-2-sulfanylidene-1H-quinazolin-4-one
SMILESCC(C)OCCCn1c(=S)[nH]c2ccc(N3CCOCC3)cc2c1=O
InChIInChI=1S/C18H25N3O3S/c1-13(2)24-9-3-6-21-17(22)15-12-14(20-7-10-23-11-8-20)4-5-16(15)19-18(21)25/h4-5,12-13H,3,6-11H2,1-2H3,(H,19,25)
InChIKeyUZMLFTYLHXDZGU-UHFFFAOYSA-N
MW363.48 g/mol
LogP2.71
Rot. Bonds6

About 6-morpholin-4-yl-3-(3-propan-2-yloxypropyl)-2-sulfanylidene-1H-quinazolin-4-one

6-morpholin-4-yl-3-(3-propan-2-yloxypropyl)-2-sulfanylidene-1H-quinazolin-4-one (PubChem CID 3240809) has the molecular formula C18H25N3O3S and a molecular weight of 363.48 g/mol. Its IUPAC name is 6-morpholin-4-yl-3-(3-propan-2-yloxypropyl)-2-sulfanylidene-1H-quinazolin-4-one.

Molecular Properties

Compound Name6-morpholin-4-yl-3-(3-propan-2-yloxypropyl)-2-sulfanylidene-1H-quinazolin-4-one
PubChem CID3240809
Molecular FormulaC18H25N3O3S
Molecular Weight363.48 g/mol
Exact Mass363.16
IUPAC Name6-morpholin-4-yl-3-(3-propan-2-yloxypropyl)-2-sulfanylidene-1H-quinazolin-4-one
SMILESCC(C)OCCCn1c(=S)[nH]c2ccc(N3CCOCC3)cc2c1=O
InChIInChI=1S/C18H25N3O3S/c1-13(2)24-9-3-6-21-17(22)15-12-14(20-7-10-23-11-8-20)4-5-16(15)19-18(21)25/h4-5,12-13H,3,6-11H2,1-2H3,(H,19,25)
InChIKeyUZMLFTYLHXDZGU-UHFFFAOYSA-N
XLogP2.71
TPSA59.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.48
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-morpholin-4-yl-3-(3-propan-2-yloxypropyl)-2-sulfanylidene-1H-quinazolin-4-one?
The IUPAC name of 6-morpholin-4-yl-3-(3-propan-2-yloxypropyl)-2-sulfanylidene-1H-quinazolin-4-one (CID 3240809) is 6-morpholin-4-yl-3-(3-propan-2-yloxypropyl)-2-sulfanylidene-1H-quinazolin-4-one.
What is the SMILES notation for 6-morpholin-4-yl-3-(3-propan-2-yloxypropyl)-2-sulfanylidene-1H-quinazolin-4-one?
The canonical SMILES for 6-morpholin-4-yl-3-(3-propan-2-yloxypropyl)-2-sulfanylidene-1H-quinazolin-4-one is CC(C)OCCCn1c(=S)[nH]c2ccc(N3CCOCC3)cc2c1=O.
What is the InChIKey of 6-morpholin-4-yl-3-(3-propan-2-yloxypropyl)-2-sulfanylidene-1H-quinazolin-4-one?
The InChIKey is UZMLFTYLHXDZGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3S/c1-13(2)24-9-3-6-21-17(22)15-12-14(20-7-10-23-11-8-20)4-5-16(15)19-18(21)25/h4-5,12-13H,3,6-11H2,1-2H3,(H,19,25).
What are the key properties of 6-morpholin-4-yl-3-(3-propan-2-yloxypropyl)-2-sulfanylidene-1H-quinazolin-4-one?
6-morpholin-4-yl-3-(3-propan-2-yloxypropyl)-2-sulfanylidene-1H-quinazolin-4-one has a molecular weight of 363.48 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-morpholin-4-yl-3-(3-propan-2-yloxypropyl)-2-sulfanylidene-1H-quinazolin-4-one is sourced from PubChem (CID 3240809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).