2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanyl-N-(3-ethoxypropyl)acetamide

C18H23N3O3S — CID 17454712

IUPAC2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanyl-N-(3-ethoxypropyl)acetamide
SMILESCCOCCCNC(=O)CSc1nc2ccccc2c(=O)n1C1CC1
InChIInChI=1S/C18H23N3O3S/c1-2-24-11-5-10-19-16(22)12-25-18-20-15-7-4-3-6-14(15)17(23)21(18)13-8-9-13/h3-4,6-7,13H,2,5,8-12H2,1H3,(H,19,22)
InChIKeyKRFOSKGNIGKVOT-UHFFFAOYSA-N
MW361.47 g/mol
LogP2.37
Rot. Bonds9

About 2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanyl-N-(3-ethoxypropyl)acetamide

2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanyl-N-(3-ethoxypropyl)acetamide (PubChem CID 17454712) has the molecular formula C18H23N3O3S and a molecular weight of 361.47 g/mol. Its IUPAC name is 2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanyl-N-(3-ethoxypropyl)acetamide.

Molecular Properties

Compound Name2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanyl-N-(3-ethoxypropyl)acetamide
PubChem CID17454712
Molecular FormulaC18H23N3O3S
Molecular Weight361.47 g/mol
Exact Mass361.15
IUPAC Name2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanyl-N-(3-ethoxypropyl)acetamide
SMILESCCOCCCNC(=O)CSc1nc2ccccc2c(=O)n1C1CC1
InChIInChI=1S/C18H23N3O3S/c1-2-24-11-5-10-19-16(22)12-25-18-20-15-7-4-3-6-14(15)17(23)21(18)13-8-9-13/h3-4,6-7,13H,2,5,8-12H2,1H3,(H,19,22)
InChIKeyKRFOSKGNIGKVOT-UHFFFAOYSA-N
XLogP2.37
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanyl-N-(3-ethoxypropyl)acetamide 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

N-butyl-2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanylacetamide
CID 3245927
2-[[2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylacetyl]amino]-N-methylacetamide
CID 8982041
2-[3-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-4-oxoquinazolin-2-yl]sulfanyl-N-(3-methoxypropyl)acetamide
CID 11911134
N-(3-ethoxypropyl)-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide
CID 17405689
N-(1-adamantylmethyl)-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylacetamide
CID 8981568
N-cyclohexyl-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylacetamide
CID 8979979
2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanyl-N-(3-methylbutan-2-yl)acetamide
CID 17430885
2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanyl-N-pentan-3-ylacetamide
CID 7988471
ethyl 4-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylbutanoate
CID 42805882
2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanyl-N-(4-phenylphenyl)acetamide
CID 46611934
2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2-ethoxyphenyl)acetamide
CID 7988603
2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2-thiophen-2-ylethyl)acetamide
CID 7628384

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanyl-N-(3-ethoxypropyl)acetamide?
The IUPAC name of 2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanyl-N-(3-ethoxypropyl)acetamide (CID 17454712) is 2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanyl-N-(3-ethoxypropyl)acetamide.
What is the SMILES notation for 2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanyl-N-(3-ethoxypropyl)acetamide?
The canonical SMILES for 2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanyl-N-(3-ethoxypropyl)acetamide is CCOCCCNC(=O)CSc1nc2ccccc2c(=O)n1C1CC1.
What is the InChIKey of 2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanyl-N-(3-ethoxypropyl)acetamide?
The InChIKey is KRFOSKGNIGKVOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S/c1-2-24-11-5-10-19-16(22)12-25-18-20-15-7-4-3-6-14(15)17(23)21(18)13-8-9-13/h3-4,6-7,13H,2,5,8-12H2,1H3,(H,19,22).
What are the key properties of 2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanyl-N-(3-ethoxypropyl)acetamide?
2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanyl-N-(3-ethoxypropyl)acetamide has a molecular weight of 361.47 g/mol, XLogP of 2.37, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanyl-N-(3-ethoxypropyl)acetamide is sourced from PubChem (CID 17454712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).