N-[2-(6-morpholin-4-yl-4-oxo-2-sulfanylidene-4aH-quinazolin-3-yl)ethyl]acetamide

C16H20N4O3S — CID 78351725

IUPACN-[2-(6-morpholin-4-yl-4-oxo-2-sulfanylidene-4aH-quinazolin-3-yl)ethyl]acetamide
SMILESCC(=O)NCCN1C(=O)C2C=C(N3CCOCC3)C=CC2=NC1=S
InChIInChI=1S/C16H20N4O3S/c1-11(21)17-4-5-20-15(22)13-10-12(19-6-8-23-9-7-19)2-3-14(13)18-16(20)24/h2-3,10,13H,4-9H2,1H3,(H,17,21)
InChIKeyMCZHBYJRCKIQBC-UHFFFAOYSA-N
MW348.43 g/mol
LogP0.09
Rot. Bonds4

About N-[2-(6-morpholin-4-yl-4-oxo-2-sulfanylidene-4aH-quinazolin-3-yl)ethyl]acetamide

N-[2-(6-morpholin-4-yl-4-oxo-2-sulfanylidene-4aH-quinazolin-3-yl)ethyl]acetamide (PubChem CID 78351725) has the molecular formula C16H20N4O3S and a molecular weight of 348.43 g/mol. Its IUPAC name is N-[2-(6-morpholin-4-yl-4-oxo-2-sulfanylidene-4aH-quinazolin-3-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(6-morpholin-4-yl-4-oxo-2-sulfanylidene-4aH-quinazolin-3-yl)ethyl]acetamide
PubChem CID78351725
Molecular FormulaC16H20N4O3S
Molecular Weight348.43 g/mol
Exact Mass348.13
IUPAC NameN-[2-(6-morpholin-4-yl-4-oxo-2-sulfanylidene-4aH-quinazolin-3-yl)ethyl]acetamide
SMILESCC(=O)NCCN1C(=O)C2C=C(N3CCOCC3)C=CC2=NC1=S
InChIInChI=1S/C16H20N4O3S/c1-11(21)17-4-5-20-15(22)13-10-12(19-6-8-23-9-7-19)2-3-14(13)18-16(20)24/h2-3,10,13H,4-9H2,1H3,(H,17,21)
InChIKeyMCZHBYJRCKIQBC-UHFFFAOYSA-N
XLogP0.09
TPSA74.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 50.09
H-Bond Donors ≤ 51
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 N-[2-(6-morpholin-4-yl-4-oxo-2-sulfanylidene-4aH-quinazolin-3-yl)ethyl]acetamide?
The IUPAC name of N-[2-(6-morpholin-4-yl-4-oxo-2-sulfanylidene-4aH-quinazolin-3-yl)ethyl]acetamide (CID 78351725) is N-[2-(6-morpholin-4-yl-4-oxo-2-sulfanylidene-4aH-quinazolin-3-yl)ethyl]acetamide.
What is the SMILES notation for N-[2-(6-morpholin-4-yl-4-oxo-2-sulfanylidene-4aH-quinazolin-3-yl)ethyl]acetamide?
The canonical SMILES for N-[2-(6-morpholin-4-yl-4-oxo-2-sulfanylidene-4aH-quinazolin-3-yl)ethyl]acetamide is CC(=O)NCCN1C(=O)C2C=C(N3CCOCC3)C=CC2=NC1=S.
What is the InChIKey of N-[2-(6-morpholin-4-yl-4-oxo-2-sulfanylidene-4aH-quinazolin-3-yl)ethyl]acetamide?
The InChIKey is MCZHBYJRCKIQBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3S/c1-11(21)17-4-5-20-15(22)13-10-12(19-6-8-23-9-7-19)2-3-14(13)18-16(20)24/h2-3,10,13H,4-9H2,1H3,(H,17,21).
What are the key properties of N-[2-(6-morpholin-4-yl-4-oxo-2-sulfanylidene-4aH-quinazolin-3-yl)ethyl]acetamide?
N-[2-(6-morpholin-4-yl-4-oxo-2-sulfanylidene-4aH-quinazolin-3-yl)ethyl]acetamide has a molecular weight of 348.43 g/mol, XLogP of 0.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-morpholin-4-yl-4-oxo-2-sulfanylidene-4aH-quinazolin-3-yl)ethyl]acetamide is sourced from PubChem (CID 78351725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).