trimethyl-[2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylpropyl]azanium

C20H24N3OS+ — CID 27432

IUPACtrimethyl-[2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylpropyl]azanium
SMILESCC(C[N+](C)(C)C)Sc1nc2ccccc2c(=O)n1-c1ccccc1
InChIInChI=1S/C20H24N3OS/c1-15(14-23(2,3)4)25-20-21-18-13-9-8-12-17(18)19(24)22(20)16-10-6-5-7-11-16/h5-13,15H,14H2,1-4H3/q+1
InChIKeyPGMHSUDQPQOQLK-UHFFFAOYSA-N
MW354.50 g/mol
LogP3.57
Rot. Bonds5

About trimethyl-[2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylpropyl]azanium

trimethyl-[2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylpropyl]azanium (PubChem CID 27432) has the molecular formula C20H24N3OS+ and a molecular weight of 354.50 g/mol. Its IUPAC name is trimethyl-[2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylpropyl]azanium.

Molecular Properties

Compound Nametrimethyl-[2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylpropyl]azanium
PubChem CID27432
Molecular FormulaC20H24N3OS+
Molecular Weight354.50 g/mol
Exact Mass354.16
IUPAC Nametrimethyl-[2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylpropyl]azanium
SMILESCC(C[N+](C)(C)C)Sc1nc2ccccc2c(=O)n1-c1ccccc1
InChIInChI=1S/C20H24N3OS/c1-15(14-23(2,3)4)25-20-21-18-13-9-8-12-17(18)19(24)22(20)16-10-6-5-7-11-16/h5-13,15H,14H2,1-4H3/q+1
InChIKeyPGMHSUDQPQOQLK-UHFFFAOYSA-N
XLogP3.57
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.50
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

2-(7-chloro-4-oxo-3-phenylquinazolin-2-yl)sulfanylpropyl-trimethylazanium
CID 27404
2-[(2S)-3-oxopentan-2-yl]sulfanyl-3-phenylquinazolin-4-one
CID 7390011
trimethyl-[2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylethyl]azanium
CID 1283471
N-naphthalen-1-yl-2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylpropanamide
CID 23970506
ethyl (2R)-2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanoate
CID 2065525
2-[2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylpropanoylamino]benzamide
CID 23914651
2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetamide
CID 680931
(2R)-2-[3-(4-nitrophenyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide
CID 8661975
N-(2-fluorophenyl)-2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylpropanamide
CID 23886561
(2S)-2-[3-[4-[(2R)-butan-2-yl]phenyl]-4-oxoquinazolin-2-yl]sulfanylpropanamide
CID 2580849
3-(4-ethylphenyl)-2-[(1S)-1-(4-fluorophenyl)ethyl]sulfanylquinazolin-4-one
CID 7846312
2-(2-phenoxyethylsulfanyl)-3-phenylquinazolin-4-one
CID 3967996

Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylpropyl]azanium?
The IUPAC name of trimethyl-[2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylpropyl]azanium (CID 27432) is trimethyl-[2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylpropyl]azanium.
What is the SMILES notation for trimethyl-[2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylpropyl]azanium?
The canonical SMILES for trimethyl-[2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylpropyl]azanium is CC(C[N+](C)(C)C)Sc1nc2ccccc2c(=O)n1-c1ccccc1.
What is the InChIKey of trimethyl-[2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylpropyl]azanium?
The InChIKey is PGMHSUDQPQOQLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N3OS/c1-15(14-23(2,3)4)25-20-21-18-13-9-8-12-17(18)19(24)22(20)16-10-6-5-7-11-16/h5-13,15H,14H2,1-4H3/q+1.
What are the key properties of trimethyl-[2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylpropyl]azanium?
trimethyl-[2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylpropyl]azanium has a molecular weight of 354.50 g/mol, XLogP of 3.57, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylpropyl]azanium is sourced from PubChem (CID 27432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).