2-(4-chlorophenyl)sulfanyl-N-(4,7,7-trimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)acetamide

C19H20ClN3O2S — CID 16646002

IUPAC2-(4-chlorophenyl)sulfanyl-N-(4,7,7-trimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)acetamide
SMILESCc1nc(NC(=O)CSc2ccc(Cl)cc2)nc2c1C(=O)CC(C)(C)C2
InChIInChI=1S/C19H20ClN3O2S/c1-11-17-14(8-19(2,3)9-15(17)24)22-18(21-11)23-16(25)10-26-13-6-4-12(20)5-7-13/h4-7H,8-10H2,1-3H3,(H,21,22,23,25)
InChIKeyDRMMWUIARUJOHR-UHFFFAOYSA-N
MW389.91 g/mol
LogP4.32
Rot. Bonds4

About 2-(4-chlorophenyl)sulfanyl-N-(4,7,7-trimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)acetamide

2-(4-chlorophenyl)sulfanyl-N-(4,7,7-trimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)acetamide (PubChem CID 16646002) has the molecular formula C19H20ClN3O2S and a molecular weight of 389.91 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanyl-N-(4,7,7-trimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfanyl-N-(4,7,7-trimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)acetamide
PubChem CID16646002
Molecular FormulaC19H20ClN3O2S
Molecular Weight389.91 g/mol
Exact Mass389.10
IUPAC Name2-(4-chlorophenyl)sulfanyl-N-(4,7,7-trimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)acetamide
SMILESCc1nc(NC(=O)CSc2ccc(Cl)cc2)nc2c1C(=O)CC(C)(C)C2
InChIInChI=1S/C19H20ClN3O2S/c1-11-17-14(8-19(2,3)9-15(17)24)22-18(21-11)23-16(25)10-26-13-6-4-12(20)5-7-13/h4-7H,8-10H2,1-3H3,(H,21,22,23,25)
InChIKeyDRMMWUIARUJOHR-UHFFFAOYSA-N
XLogP4.32
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.91
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(4-chlorophenyl)sulfanyl-N-(4,7,7-trimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)acetamide with MolForge

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Related Compounds

2-(4-chlorophenyl)sulfanyl-N-(4,5,6-trimethylpyrimidin-2-yl)acetamide
CID 162631847
2-(1-methyltetrazol-5-yl)sulfanyl-N-(4,7,7-trimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)acetamide
CID 17027703
2-(4-chlorophenyl)sulfanyl-N-[(7S)-5-oxo-7-phenyl-7,8-dihydro-6H-quinazolin-2-yl]acetamide
CID 1491873
N-(4,7-dimethyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl)-2-pyridin-2-ylsulfanylacetamide
CID 17198254
N-[5-(4-chlorophenyl)-1,2,4-thiadiazol-3-yl]-2-[[3-cyano-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-6,8-dihydroquinolin-2-yl]sulfanyl]acetamide
CID 2243168
2-anilino-4-(4-chloroanilino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one
CID 30317879
3-(4-chlorophenyl)sulfanyl-N-(4,6-dimethylpyrimidin-2-yl)propanamide
CID 17257510
2-(4-chlorophenyl)sulfanyl-N-(3-fluoro-2-methylphenyl)acetamide
CID 126186398
2-(4-chlorophenyl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 4908224
2-(4-chlorophenyl)sulfanyl-N-(3,5-dimethylphenyl)acetamide
CID 3936827
2-[[4-(4-chlorophenyl)-3-cyano-7,7-dimethyl-5-oxo-1,4,6,8-tetrahydroquinolin-2-yl]sulfanyl]-N-naphthalen-1-ylacetamide
CID 3716759
2-(4-chlorophenyl)sulfanyl-N-(2,4,6-trimethylphenyl)acetamide
CID 735121

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-(4,7,7-trimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)acetamide?
The IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-(4,7,7-trimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)acetamide (CID 16646002) is 2-(4-chlorophenyl)sulfanyl-N-(4,7,7-trimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)sulfanyl-N-(4,7,7-trimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)acetamide?
The canonical SMILES for 2-(4-chlorophenyl)sulfanyl-N-(4,7,7-trimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)acetamide is Cc1nc(NC(=O)CSc2ccc(Cl)cc2)nc2c1C(=O)CC(C)(C)C2.
What is the InChIKey of 2-(4-chlorophenyl)sulfanyl-N-(4,7,7-trimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)acetamide?
The InChIKey is DRMMWUIARUJOHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O2S/c1-11-17-14(8-19(2,3)9-15(17)24)22-18(21-11)23-16(25)10-26-13-6-4-12(20)5-7-13/h4-7H,8-10H2,1-3H3,(H,21,22,23,25).
What are the key properties of 2-(4-chlorophenyl)sulfanyl-N-(4,7,7-trimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)acetamide?
2-(4-chlorophenyl)sulfanyl-N-(4,7,7-trimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)acetamide has a molecular weight of 389.91 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfanyl-N-(4,7,7-trimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)acetamide is sourced from PubChem (CID 16646002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).