diethyl-[2-[7-(morpholine-4-carbonyl)-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl]ethyl]azanium

C19H27N4O3S+ — CID 5071318

IUPACdiethyl-[2-[7-(morpholine-4-carbonyl)-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl]ethyl]azanium
SMILESCC[NH+](CC)CCn1c(=S)[nH]c2cc(C(=O)N3CCOCC3)ccc2c1=O
InChIInChI=1S/C19H26N4O3S/c1-3-21(4-2)7-8-23-18(25)15-6-5-14(13-16(15)20-19(23)27)17(24)22-9-11-26-12-10-22/h5-6,13H,3-4,7-12H2,1-2H3,(H,20,27)/p+1
InChIKeyUDRMBMKEPDPRNT-UHFFFAOYSA-O
MW391.52 g/mol
LogP0.46
Rot. Bonds6

About diethyl-[2-[7-(morpholine-4-carbonyl)-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl]ethyl]azanium

diethyl-[2-[7-(morpholine-4-carbonyl)-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl]ethyl]azanium (PubChem CID 5071318) has the molecular formula C19H27N4O3S+ and a molecular weight of 391.52 g/mol. Its IUPAC name is diethyl-[2-[7-(morpholine-4-carbonyl)-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl]ethyl]azanium.

Molecular Properties

Compound Namediethyl-[2-[7-(morpholine-4-carbonyl)-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl]ethyl]azanium
PubChem CID5071318
Molecular FormulaC19H27N4O3S+
Molecular Weight391.52 g/mol
Exact Mass391.18
IUPAC Namediethyl-[2-[7-(morpholine-4-carbonyl)-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl]ethyl]azanium
SMILESCC[NH+](CC)CCn1c(=S)[nH]c2cc(C(=O)N3CCOCC3)ccc2c1=O
InChIInChI=1S/C19H26N4O3S/c1-3-21(4-2)7-8-23-18(25)15-6-5-14(13-16(15)20-19(23)27)17(24)22-9-11-26-12-10-22/h5-6,13H,3-4,7-12H2,1-2H3,(H,20,27)/p+1
InChIKeyUDRMBMKEPDPRNT-UHFFFAOYSA-O
XLogP0.46
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze diethyl-[2-[7-(morpholine-4-carbonyl)-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl]ethyl]azanium with MolForge

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Related Compounds

7-(azepane-1-carbonyl)-3-ethyl-2-sulfanylidene-1H-quinazolin-4-one
CID 27659116
diethyl-[2-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)ethyl]azanium
CID 2405299
3-(2-methoxyethyl)-7-(4-methylpiperazine-1-carbonyl)-2-sulfanylidene-1H-quinazolin-4-one
CID 4194151
diethyl-[2-[4-oxo-7-(2-phenylethylcarbamoyl)-2-sulfanylidene-1H-quinazolin-3-yl]ethyl]azanium
CID 5083501
diethyl-[2-[(4-oxo-3-propyl-2-sulfanylidene-1H-quinazoline-7-carbonyl)amino]ethyl]azanium
CID 3426133
7-(4-methylpiperazine-1-carbonyl)-3-(2-phenylethyl)-2-sulfanylidene-1H-quinazolin-4-one
CID 3242683
methyl 3-(2-morpholin-4-yl-2-oxoethyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylate
CID 42585656
3-ethyl-7-(4-pyridin-4-ylpiperazine-1-carbonyl)-2-sulfanylidene-1H-quinazolin-4-one
CID 39640964
7-(4-benzylpiperazine-1-carbonyl)-3-ethyl-2-sulfanylidene-1H-quinazolin-4-one
CID 27671511
7-(4-cyclohexylpiperazine-1-carbonyl)-3-(3-ethoxypropyl)-2-sulfanylidene-1H-quinazolin-4-one
CID 5078777
7-(azepane-1-carbonyl)-3-methyl-2-sulfanylidene-1H-quinazolin-4-one
CID 27659115
7-(3,5-dimethylpiperidine-1-carbonyl)-3-(2-methoxyethyl)-2-sulfanylidene-1H-quinazolin-4-one
CID 4215295

Frequently Asked Questions

What is the IUPAC name of diethyl-[2-[7-(morpholine-4-carbonyl)-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl]ethyl]azanium?
The IUPAC name of diethyl-[2-[7-(morpholine-4-carbonyl)-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl]ethyl]azanium (CID 5071318) is diethyl-[2-[7-(morpholine-4-carbonyl)-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl]ethyl]azanium.
What is the SMILES notation for diethyl-[2-[7-(morpholine-4-carbonyl)-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl]ethyl]azanium?
The canonical SMILES for diethyl-[2-[7-(morpholine-4-carbonyl)-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl]ethyl]azanium is CC[NH+](CC)CCn1c(=S)[nH]c2cc(C(=O)N3CCOCC3)ccc2c1=O.
What is the InChIKey of diethyl-[2-[7-(morpholine-4-carbonyl)-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl]ethyl]azanium?
The InChIKey is UDRMBMKEPDPRNT-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H26N4O3S/c1-3-21(4-2)7-8-23-18(25)15-6-5-14(13-16(15)20-19(23)27)17(24)22-9-11-26-12-10-22/h5-6,13H,3-4,7-12H2,1-2H3,(H,20,27)/p+1.
What are the key properties of diethyl-[2-[7-(morpholine-4-carbonyl)-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl]ethyl]azanium?
diethyl-[2-[7-(morpholine-4-carbonyl)-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl]ethyl]azanium has a molecular weight of 391.52 g/mol, XLogP of 0.46, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-[2-[7-(morpholine-4-carbonyl)-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl]ethyl]azanium is sourced from PubChem (CID 5071318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).