2-(3,6-dimethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(3-ethoxypropyl)propanamide

C18H25N3O3S — CID 55752703

IUPAC2-(3,6-dimethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(3-ethoxypropyl)propanamide
SMILESCCOCCCNC(=O)C(C)Sc1nc2ccc(C)cc2c(=O)n1C
InChIInChI=1S/C18H25N3O3S/c1-5-24-10-6-9-19-16(22)13(3)25-18-20-15-8-7-12(2)11-14(15)17(23)21(18)4/h7-8,11,13H,5-6,9-10H2,1-4H3,(H,19,22)
InChIKeyDKUQGWGYPXRXSO-UHFFFAOYSA-N
MW363.48 g/mol
LogP2.27
Rot. Bonds8

About 2-(3,6-dimethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(3-ethoxypropyl)propanamide

2-(3,6-dimethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(3-ethoxypropyl)propanamide (PubChem CID 55752703) has the molecular formula C18H25N3O3S and a molecular weight of 363.48 g/mol. Its IUPAC name is 2-(3,6-dimethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(3-ethoxypropyl)propanamide.

Molecular Properties

Compound Name2-(3,6-dimethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(3-ethoxypropyl)propanamide
PubChem CID55752703
Molecular FormulaC18H25N3O3S
Molecular Weight363.48 g/mol
Exact Mass363.16
IUPAC Name2-(3,6-dimethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(3-ethoxypropyl)propanamide
SMILESCCOCCCNC(=O)C(C)Sc1nc2ccc(C)cc2c(=O)n1C
InChIInChI=1S/C18H25N3O3S/c1-5-24-10-6-9-19-16(22)13(3)25-18-20-15-8-7-12(2)11-14(15)17(23)21(18)4/h7-8,11,13H,5-6,9-10H2,1-4H3,(H,19,22)
InChIKeyDKUQGWGYPXRXSO-UHFFFAOYSA-N
XLogP2.27
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.48
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-(3,6-dimethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(3-ethoxypropyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3,6-dimethyl-4-oxoquinazolin-2-yl)sulfanyl-N,N-diethylpropanamide
CID 86997524
N-(3-ethoxypropyl)-2-[3-(2-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide
CID 55526065
N-(2-chlorophenyl)-2-(3,6-dimethyl-4-oxoquinazolin-2-yl)sulfanylpropanamide
CID 55752307
2-(3,6-dimethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(4-sulfamoylphenyl)propanamide
CID 55752339
2-[1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl]sulfanyl-3,6-dimethylquinazolin-4-one
CID 55752396
N-(3-ethoxypropyl)-2-phenylsulfanylpropanamide
CID 3584948
(2S)-2-[3-(3-ethoxypropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(ethylcarbamoyl)propanamide
CID 2638620
N-(3-ethoxypropyl)-2-[[5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 55524859
(2S)-2-[3-(2,5-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-methoxyethyl)propanamide
CID 8983530
(2S)-N-(3-ethoxypropyl)-2-(4-methoxyphenyl)sulfanylpropanamide
CID 28632770
2-(3-hydroxypropylsulfanyl)-3,6-dimethylquinazolin-4-one
CID 111127184
2-[7-chloro-3-(3-ethoxypropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-propan-2-ylpropanamide
CID 46811396

Frequently Asked Questions

What is the IUPAC name of 2-(3,6-dimethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(3-ethoxypropyl)propanamide?
The IUPAC name of 2-(3,6-dimethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(3-ethoxypropyl)propanamide (CID 55752703) is 2-(3,6-dimethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(3-ethoxypropyl)propanamide.
What is the SMILES notation for 2-(3,6-dimethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(3-ethoxypropyl)propanamide?
The canonical SMILES for 2-(3,6-dimethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(3-ethoxypropyl)propanamide is CCOCCCNC(=O)C(C)Sc1nc2ccc(C)cc2c(=O)n1C.
What is the InChIKey of 2-(3,6-dimethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(3-ethoxypropyl)propanamide?
The InChIKey is DKUQGWGYPXRXSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3S/c1-5-24-10-6-9-19-16(22)13(3)25-18-20-15-8-7-12(2)11-14(15)17(23)21(18)4/h7-8,11,13H,5-6,9-10H2,1-4H3,(H,19,22).
What are the key properties of 2-(3,6-dimethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(3-ethoxypropyl)propanamide?
2-(3,6-dimethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(3-ethoxypropyl)propanamide has a molecular weight of 363.48 g/mol, XLogP of 2.27, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,6-dimethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(3-ethoxypropyl)propanamide is sourced from PubChem (CID 55752703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).