2-(7-chloro-4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanyl-N-(2,5-dimethylpyrazol-3-yl)acetamide

C18H18ClN5O2S — CID 24567358

IUPAC2-(7-chloro-4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanyl-N-(2,5-dimethylpyrazol-3-yl)acetamide
SMILESC=CCn1c(SCC(=O)Nc2cc(C)nn2C)nc2cc(Cl)ccc2c1=O
InChIInChI=1S/C18H18ClN5O2S/c1-4-7-24-17(26)13-6-5-12(19)9-14(13)20-18(24)27-10-16(25)21-15-8-11(2)22-23(15)3/h4-6,8-9H,1,7,10H2,2-3H3,(H,21,25)
InChIKeyZIOYDQMBAKVEOF-UHFFFAOYSA-N
MW403.90 g/mol
LogP3.01
Rot. Bonds6

About 2-(7-chloro-4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanyl-N-(2,5-dimethylpyrazol-3-yl)acetamide

2-(7-chloro-4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanyl-N-(2,5-dimethylpyrazol-3-yl)acetamide (PubChem CID 24567358) has the molecular formula C18H18ClN5O2S and a molecular weight of 403.90 g/mol. Its IUPAC name is 2-(7-chloro-4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanyl-N-(2,5-dimethylpyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(7-chloro-4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanyl-N-(2,5-dimethylpyrazol-3-yl)acetamide
PubChem CID24567358
Molecular FormulaC18H18ClN5O2S
Molecular Weight403.90 g/mol
Exact Mass403.09
IUPAC Name2-(7-chloro-4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanyl-N-(2,5-dimethylpyrazol-3-yl)acetamide
SMILESC=CCn1c(SCC(=O)Nc2cc(C)nn2C)nc2cc(Cl)ccc2c1=O
InChIInChI=1S/C18H18ClN5O2S/c1-4-7-24-17(26)13-6-5-12(19)9-14(13)20-18(24)27-10-16(25)21-15-8-11(2)22-23(15)3/h4-6,8-9H,1,7,10H2,2-3H3,(H,21,25)
InChIKeyZIOYDQMBAKVEOF-UHFFFAOYSA-N
XLogP3.01
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.90
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-(7-chloro-4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanyl-N-(2,5-dimethylpyrazol-3-yl)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

4-chloro-N-[1-(4-ethyl-6-oxo-1,6-dihydropyrimidin-2-yl)-3-methyl-1H-pyrazol-5-yl]benzamide
CID 135753079
N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-[3-(3-ethoxypropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 2102986
2-(3-butan-2-yl-4-oxoquinazolin-2-yl)sulfanyl-N-(3-tert-butyl-1-phenylpyrazol-5-yl)acetamide
CID 3987313
4-chloro-N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]benzamide
CID 2310884
4-chloro-N-(1-methyl-3-phenyl-1H-pyrazol-5-yl)benzamide
CID 24983126
N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 2081425
4-[2-[[2-[(5-methyl-1H-pyrazol-3-yl)amino]-2-oxoethyl]thio]-4-oxo-3-quinazolinyl]-N-(phenylmethyl)butanamide
CID 5097789
N-(5-Chloro-2-methylphenyl)-4-({2-methyl-5-oxo-4H,5H,6H,7H-pyrazolo[1,5-A]pyrimidin-4-YL}methyl)benzamide
CID 16022728
N-(5-chloro-2-methylphenyl)-2-(1,3,4-trimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl)acetamide
CID 16026191
4-chloro-N-(3-methyl-1-(6-oxo-4-propyl-1,6-dihydropyrimidin-2-yl)-1H-pyrazol-5-yl)benzamide
CID 135753230
2-{6-[1-(5-Chloro-2-methylphenyl)-5-methyl-1H-pyrazol-3-YL]-7-methyl-5-oxo-5H-[1,3]thiazolo[3,2-A]pyrimidin-3-YL}-N-(3-methylbutyl)acetamide
CID 45964002
N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
CID 40093848

Frequently Asked Questions

What is the IUPAC name of 2-(7-chloro-4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanyl-N-(2,5-dimethylpyrazol-3-yl)acetamide?
The IUPAC name of 2-(7-chloro-4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanyl-N-(2,5-dimethylpyrazol-3-yl)acetamide (CID 24567358) is 2-(7-chloro-4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanyl-N-(2,5-dimethylpyrazol-3-yl)acetamide.
What is the SMILES notation for 2-(7-chloro-4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanyl-N-(2,5-dimethylpyrazol-3-yl)acetamide?
The canonical SMILES for 2-(7-chloro-4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanyl-N-(2,5-dimethylpyrazol-3-yl)acetamide is C=CCn1c(SCC(=O)Nc2cc(C)nn2C)nc2cc(Cl)ccc2c1=O.
What is the InChIKey of 2-(7-chloro-4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanyl-N-(2,5-dimethylpyrazol-3-yl)acetamide?
The InChIKey is ZIOYDQMBAKVEOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN5O2S/c1-4-7-24-17(26)13-6-5-12(19)9-14(13)20-18(24)27-10-16(25)21-15-8-11(2)22-23(15)3/h4-6,8-9H,1,7,10H2,2-3H3,(H,21,25).
What are the key properties of 2-(7-chloro-4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanyl-N-(2,5-dimethylpyrazol-3-yl)acetamide?
2-(7-chloro-4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanyl-N-(2,5-dimethylpyrazol-3-yl)acetamide has a molecular weight of 403.90 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-chloro-4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanyl-N-(2,5-dimethylpyrazol-3-yl)acetamide is sourced from PubChem (CID 24567358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).