2-(2-cyclopropylquinazolin-4-yl)sulfanyl-N-[4-(diethylamino)-3-methylphenyl]acetamide

C24H28N4OS — CID 1435145

IUPAC2-(2-cyclopropylquinazolin-4-yl)sulfanyl-N-[4-(diethylamino)-3-methylphenyl]acetamide
SMILESCCN(CC)c1ccc(NC(=O)CSc2nc(C3CC3)nc3ccccc23)cc1C
InChIInChI=1S/C24H28N4OS/c1-4-28(5-2)21-13-12-18(14-16(21)3)25-22(29)15-30-24-19-8-6-7-9-20(19)26-23(27-24)17-10-11-17/h6-9,12-14,17H,4-5,10-11,15H2,1-3H3,(H,25,29)
InChIKeyZFOIIQNSTQJETN-UHFFFAOYSA-N
MW420.58 g/mol
LogP5.39
Rot. Bonds8

About 2-(2-cyclopropylquinazolin-4-yl)sulfanyl-N-[4-(diethylamino)-3-methylphenyl]acetamide

2-(2-cyclopropylquinazolin-4-yl)sulfanyl-N-[4-(diethylamino)-3-methylphenyl]acetamide (PubChem CID 1435145) has the molecular formula C24H28N4OS and a molecular weight of 420.58 g/mol. Its IUPAC name is 2-(2-cyclopropylquinazolin-4-yl)sulfanyl-N-[4-(diethylamino)-3-methylphenyl]acetamide.

Molecular Properties

Compound Name2-(2-cyclopropylquinazolin-4-yl)sulfanyl-N-[4-(diethylamino)-3-methylphenyl]acetamide
PubChem CID1435145
Molecular FormulaC24H28N4OS
Molecular Weight420.58 g/mol
Exact Mass420.20
IUPAC Name2-(2-cyclopropylquinazolin-4-yl)sulfanyl-N-[4-(diethylamino)-3-methylphenyl]acetamide
SMILESCCN(CC)c1ccc(NC(=O)CSc2nc(C3CC3)nc3ccccc23)cc1C
InChIInChI=1S/C24H28N4OS/c1-4-28(5-2)21-13-12-18(14-16(21)3)25-22(29)15-30-24-19-8-6-7-9-20(19)26-23(27-24)17-10-11-17/h6-9,12-14,17H,4-5,10-11,15H2,1-3H3,(H,25,29)
InChIKeyZFOIIQNSTQJETN-UHFFFAOYSA-N
XLogP5.39
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.58
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopropylquinazolin-4-yl)sulfanyl-N-[4-(diethylamino)-3-methylphenyl]acetamide?
The IUPAC name of 2-(2-cyclopropylquinazolin-4-yl)sulfanyl-N-[4-(diethylamino)-3-methylphenyl]acetamide (CID 1435145) is 2-(2-cyclopropylquinazolin-4-yl)sulfanyl-N-[4-(diethylamino)-3-methylphenyl]acetamide.
What is the SMILES notation for 2-(2-cyclopropylquinazolin-4-yl)sulfanyl-N-[4-(diethylamino)-3-methylphenyl]acetamide?
The canonical SMILES for 2-(2-cyclopropylquinazolin-4-yl)sulfanyl-N-[4-(diethylamino)-3-methylphenyl]acetamide is CCN(CC)c1ccc(NC(=O)CSc2nc(C3CC3)nc3ccccc23)cc1C.
What is the InChIKey of 2-(2-cyclopropylquinazolin-4-yl)sulfanyl-N-[4-(diethylamino)-3-methylphenyl]acetamide?
The InChIKey is ZFOIIQNSTQJETN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4OS/c1-4-28(5-2)21-13-12-18(14-16(21)3)25-22(29)15-30-24-19-8-6-7-9-20(19)26-23(27-24)17-10-11-17/h6-9,12-14,17H,4-5,10-11,15H2,1-3H3,(H,25,29).
What are the key properties of 2-(2-cyclopropylquinazolin-4-yl)sulfanyl-N-[4-(diethylamino)-3-methylphenyl]acetamide?
2-(2-cyclopropylquinazolin-4-yl)sulfanyl-N-[4-(diethylamino)-3-methylphenyl]acetamide has a molecular weight of 420.58 g/mol, XLogP of 5.39, 8 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-(diethylamino)-3-methylphenyl]acetamide is sourced from PubChem (CID 1435145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).