2-(6-chloro-4-oxo-3-phenylquinazolin-2-yl)sulfanyl-N-(cyclohexylideneamino)acetamide

C22H21ClN4O2S — CID 102123165

IUPAC2-(6-chloro-4-oxo-3-phenylquinazolin-2-yl)sulfanyl-N-(cyclohexylideneamino)acetamide
SMILESO=C(CSc1nc2ccc(Cl)cc2c(=O)n1-c1ccccc1)NN=C1CCCCC1
InChIInChI=1S/C22H21ClN4O2S/c23-15-11-12-19-18(13-15)21(29)27(17-9-5-2-6-10-17)22(24-19)30-14-20(28)26-25-16-7-3-1-4-8-16/h2,5-6,9-13H,1,3-4,7-8,14H2,(H,26,28)
InChIKeyLNBRAFBFAMSVHB-UHFFFAOYSA-N
MW440.96 g/mol
LogP4.57
Rot. Bonds5

About 2-(6-chloro-4-oxo-3-phenylquinazolin-2-yl)sulfanyl-N-(cyclohexylideneamino)acetamide

2-(6-chloro-4-oxo-3-phenylquinazolin-2-yl)sulfanyl-N-(cyclohexylideneamino)acetamide (PubChem CID 102123165) has the molecular formula C22H21ClN4O2S and a molecular weight of 440.96 g/mol. Its IUPAC name is 2-(6-chloro-4-oxo-3-phenylquinazolin-2-yl)sulfanyl-N-(cyclohexylideneamino)acetamide.

Molecular Properties

Compound Name2-(6-chloro-4-oxo-3-phenylquinazolin-2-yl)sulfanyl-N-(cyclohexylideneamino)acetamide
PubChem CID102123165
Molecular FormulaC22H21ClN4O2S
Molecular Weight440.96 g/mol
Exact Mass440.11
IUPAC Name2-(6-chloro-4-oxo-3-phenylquinazolin-2-yl)sulfanyl-N-(cyclohexylideneamino)acetamide
SMILESO=C(CSc1nc2ccc(Cl)cc2c(=O)n1-c1ccccc1)NN=C1CCCCC1
InChIInChI=1S/C22H21ClN4O2S/c23-15-11-12-19-18(13-15)21(29)27(17-9-5-2-6-10-17)22(24-19)30-14-20(28)26-25-16-7-3-1-4-8-16/h2,5-6,9-13H,1,3-4,7-8,14H2,(H,26,28)
InChIKeyLNBRAFBFAMSVHB-UHFFFAOYSA-N
XLogP4.57
TPSA76.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.96
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-(6-chloro-4-oxo-3-phenylquinazolin-2-yl)sulfanyl-N-(cyclohexylideneamino)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-[(Z)-(4-chlorophenyl)methylideneamino]-2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetamide
CID 6133298
N-(4-acetamidophenyl)-2-(7-chloro-4-oxo-3-phenylquinazolin-2-yl)sulfanylacetamide
CID 2084367
2-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-cyclohexylacetamide
CID 1328524
N-[(E)-benzylideneamino]-2-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 6878774
N-[(2-chlorophenyl)methylideneamino]-2-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 4510714
2-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[(E)-(2-fluorophenyl)methylideneamino]acetamide
CID 6880129
N-(4-chloro-2-fluorophenyl)-2-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 3951706
N-[(Z)-(4-chlorophenyl)methylideneamino]-2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 6079222
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 135630655
2-(6-bromo-4-oxo-3-phenylquinazolin-2-yl)sulfanyl-N-methylacetamide
CID 7876762
6-bromo-2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-3-phenylquinazolin-4-one
CID 2983129
2-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-ethylacetamide
CID 16500228

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-4-oxo-3-phenylquinazolin-2-yl)sulfanyl-N-(cyclohexylideneamino)acetamide?
The IUPAC name of 2-(6-chloro-4-oxo-3-phenylquinazolin-2-yl)sulfanyl-N-(cyclohexylideneamino)acetamide (CID 102123165) is 2-(6-chloro-4-oxo-3-phenylquinazolin-2-yl)sulfanyl-N-(cyclohexylideneamino)acetamide.
What is the SMILES notation for 2-(6-chloro-4-oxo-3-phenylquinazolin-2-yl)sulfanyl-N-(cyclohexylideneamino)acetamide?
The canonical SMILES for 2-(6-chloro-4-oxo-3-phenylquinazolin-2-yl)sulfanyl-N-(cyclohexylideneamino)acetamide is O=C(CSc1nc2ccc(Cl)cc2c(=O)n1-c1ccccc1)NN=C1CCCCC1.
What is the InChIKey of 2-(6-chloro-4-oxo-3-phenylquinazolin-2-yl)sulfanyl-N-(cyclohexylideneamino)acetamide?
The InChIKey is LNBRAFBFAMSVHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN4O2S/c23-15-11-12-19-18(13-15)21(29)27(17-9-5-2-6-10-17)22(24-19)30-14-20(28)26-25-16-7-3-1-4-8-16/h2,5-6,9-13H,1,3-4,7-8,14H2,(H,26,28).
What are the key properties of 2-(6-chloro-4-oxo-3-phenylquinazolin-2-yl)sulfanyl-N-(cyclohexylideneamino)acetamide?
2-(6-chloro-4-oxo-3-phenylquinazolin-2-yl)sulfanyl-N-(cyclohexylideneamino)acetamide has a molecular weight of 440.96 g/mol, XLogP of 4.57, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-4-oxo-3-phenylquinazolin-2-yl)sulfanyl-N-(cyclohexylideneamino)acetamide is sourced from PubChem (CID 102123165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).