(2R)-N-ethyl-2-(3-ethyl-4-oxobenzo[g]quinazolin-2-yl)sulfanylpropanamide

C19H21N3O2S — CID 8836129

IUPAC(2R)-N-ethyl-2-(3-ethyl-4-oxobenzo[g]quinazolin-2-yl)sulfanylpropanamide
SMILESCCNC(=O)[C@@H](C)Sc1nc2cc3ccccc3cc2c(=O)n1CC
InChIInChI=1S/C19H21N3O2S/c1-4-20-17(23)12(3)25-19-21-16-11-14-9-7-6-8-13(14)10-15(16)18(24)22(19)5-2/h6-12H,4-5H2,1-3H3,(H,20,23)/t12-/m1/s1
InChIKeyXHKUQWFOGSPMEZ-GFCCVEGCSA-N
MW355.46 g/mol
LogP3.19
Rot. Bonds5

About (2R)-N-ethyl-2-(3-ethyl-4-oxobenzo[g]quinazolin-2-yl)sulfanylpropanamide

(2R)-N-ethyl-2-(3-ethyl-4-oxobenzo[g]quinazolin-2-yl)sulfanylpropanamide (PubChem CID 8836129) has the molecular formula C19H21N3O2S and a molecular weight of 355.46 g/mol. Its IUPAC name is (2R)-N-ethyl-2-(3-ethyl-4-oxobenzo[g]quinazolin-2-yl)sulfanylpropanamide.

Molecular Properties

Compound Name(2R)-N-ethyl-2-(3-ethyl-4-oxobenzo[g]quinazolin-2-yl)sulfanylpropanamide
PubChem CID8836129
Molecular FormulaC19H21N3O2S
Molecular Weight355.46 g/mol
Exact Mass355.14
IUPAC Name(2R)-N-ethyl-2-(3-ethyl-4-oxobenzo[g]quinazolin-2-yl)sulfanylpropanamide
SMILESCCNC(=O)[C@@H](C)Sc1nc2cc3ccccc3cc2c(=O)n1CC
InChIInChI=1S/C19H21N3O2S/c1-4-20-17(23)12(3)25-19-21-16-11-14-9-7-6-8-13(14)10-15(16)18(24)22(19)5-2/h6-12H,4-5H2,1-3H3,(H,20,23)/t12-/m1/s1
InChIKeyXHKUQWFOGSPMEZ-GFCCVEGCSA-N
XLogP3.19
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

(2R)-N-benzyl-2-(3-ethyl-4-oxobenzo[g]quinazolin-2-yl)sulfanylpropanamide
CID 8674923
(2S)-N-benzyl-2-(3-ethyl-4-oxobenzo[g]quinazolin-2-yl)sulfanylpropanamide
CID 8674922
(2R)-N-cyclohexyl-2-(3-ethyl-4-oxobenzo[g]quinazolin-2-yl)sulfanylpropanamide
CID 8674952
(2R)-N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-(3-ethyl-4-oxobenzo[g]quinazolin-2-yl)sulfanylpropanamide
CID 8674984
(2R)-N-ethyl-2-[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide
CID 8603417
(2S)-2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2,2,2-trifluoroethyl)propanamide
CID 37148615
(2S)-N-ethyl-2-[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide
CID 8603418
(2S)-N-(2-cyanoethyl)-2-(3-ethyl-4-oxobenzo[g]quinazolin-2-yl)sulfanyl-N-methylpropanamide
CID 8973427
2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-[(4-methylphenyl)methyl]propanamide
CID 51234387
2-(3-ethyl-4-oxobenzo[g]quinazolin-2-yl)sulfanyl-N-[(2S)-3-methylbutan-2-yl]acetamide
CID 8674943
(2S)-N-cyclopentyl-2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylpropanamide
CID 7876016
N-cyclopentyl-2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylpropanamide
CID 18777264

Frequently Asked Questions

What is the IUPAC name of (2R)-N-ethyl-2-(3-ethyl-4-oxobenzo[g]quinazolin-2-yl)sulfanylpropanamide?
The IUPAC name of (2R)-N-ethyl-2-(3-ethyl-4-oxobenzo[g]quinazolin-2-yl)sulfanylpropanamide (CID 8836129) is (2R)-N-ethyl-2-(3-ethyl-4-oxobenzo[g]quinazolin-2-yl)sulfanylpropanamide.
What is the SMILES notation for (2R)-N-ethyl-2-(3-ethyl-4-oxobenzo[g]quinazolin-2-yl)sulfanylpropanamide?
The canonical SMILES for (2R)-N-ethyl-2-(3-ethyl-4-oxobenzo[g]quinazolin-2-yl)sulfanylpropanamide is CCNC(=O)[C@@H](C)Sc1nc2cc3ccccc3cc2c(=O)n1CC.
What is the InChIKey of (2R)-N-ethyl-2-(3-ethyl-4-oxobenzo[g]quinazolin-2-yl)sulfanylpropanamide?
The InChIKey is XHKUQWFOGSPMEZ-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H21N3O2S/c1-4-20-17(23)12(3)25-19-21-16-11-14-9-7-6-8-13(14)10-15(16)18(24)22(19)5-2/h6-12H,4-5H2,1-3H3,(H,20,23)/t12-/m1/s1.
What are the key properties of (2R)-N-ethyl-2-(3-ethyl-4-oxobenzo[g]quinazolin-2-yl)sulfanylpropanamide?
(2R)-N-ethyl-2-(3-ethyl-4-oxobenzo[g]quinazolin-2-yl)sulfanylpropanamide has a molecular weight of 355.46 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-ethyl-2-(3-ethyl-4-oxobenzo[g]quinazolin-2-yl)sulfanylpropanamide is sourced from PubChem (CID 8836129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).