2-(2-cyclopropylquinazolin-4-yl)sulfanyl-N-(4-methoxyphenyl)acetamide

C20H19N3O2S — CID 1435052

IUPAC2-(2-cyclopropylquinazolin-4-yl)sulfanyl-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CSc2nc(C3CC3)nc3ccccc23)cc1
InChIInChI=1S/C20H19N3O2S/c1-25-15-10-8-14(9-11-15)21-18(24)12-26-20-16-4-2-3-5-17(16)22-19(23-20)13-6-7-13/h2-5,8-11,13H,6-7,12H2,1H3,(H,21,24)
InChIKeyVTLLKQKVAMJCSL-UHFFFAOYSA-N
MW365.46 g/mol
LogP4.25
Rot. Bonds6

About 2-(2-cyclopropylquinazolin-4-yl)sulfanyl-N-(4-methoxyphenyl)acetamide

2-(2-cyclopropylquinazolin-4-yl)sulfanyl-N-(4-methoxyphenyl)acetamide (PubChem CID 1435052) has the molecular formula C20H19N3O2S and a molecular weight of 365.46 g/mol. Its IUPAC name is 2-(2-cyclopropylquinazolin-4-yl)sulfanyl-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(2-cyclopropylquinazolin-4-yl)sulfanyl-N-(4-methoxyphenyl)acetamide
PubChem CID1435052
Molecular FormulaC20H19N3O2S
Molecular Weight365.46 g/mol
Exact Mass365.12
IUPAC Name2-(2-cyclopropylquinazolin-4-yl)sulfanyl-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CSc2nc(C3CC3)nc3ccccc23)cc1
InChIInChI=1S/C20H19N3O2S/c1-25-15-10-8-14(9-11-15)21-18(24)12-26-20-16-4-2-3-5-17(16)22-19(23-20)13-6-7-13/h2-5,8-11,13H,6-7,12H2,1H3,(H,21,24)
InChIKeyVTLLKQKVAMJCSL-UHFFFAOYSA-N
XLogP4.25
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopropylquinazolin-4-yl)sulfanyl-N-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-(2-cyclopropylquinazolin-4-yl)sulfanyl-N-(4-methoxyphenyl)acetamide (CID 1435052) is 2-(2-cyclopropylquinazolin-4-yl)sulfanyl-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-(2-cyclopropylquinazolin-4-yl)sulfanyl-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-(2-cyclopropylquinazolin-4-yl)sulfanyl-N-(4-methoxyphenyl)acetamide is COc1ccc(NC(=O)CSc2nc(C3CC3)nc3ccccc23)cc1.
What is the InChIKey of 2-(2-cyclopropylquinazolin-4-yl)sulfanyl-N-(4-methoxyphenyl)acetamide?
The InChIKey is VTLLKQKVAMJCSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2S/c1-25-15-10-8-14(9-11-15)21-18(24)12-26-20-16-4-2-3-5-17(16)22-19(23-20)13-6-7-13/h2-5,8-11,13H,6-7,12H2,1H3,(H,21,24).
What are the key properties of 2-(2-cyclopropylquinazolin-4-yl)sulfanyl-N-(4-methoxyphenyl)acetamide?
2-(2-cyclopropylquinazolin-4-yl)sulfanyl-N-(4-methoxyphenyl)acetamide has a molecular weight of 365.46 g/mol, XLogP of 4.25, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopropylquinazolin-4-yl)sulfanyl-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 1435052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).