N-[4-(diethylamino)phenyl]-2-quinazolin-4-ylsulfanylacetamide

C20H22N4OS — CID 2361508

IUPACN-[4-(diethylamino)phenyl]-2-quinazolin-4-ylsulfanylacetamide
SMILESCCN(CC)c1ccc(NC(=O)CSc2ncnc3ccccc23)cc1
InChIInChI=1S/C20H22N4OS/c1-3-24(4-2)16-11-9-15(10-12-16)23-19(25)13-26-20-17-7-5-6-8-18(17)21-14-22-20/h5-12,14H,3-4,13H2,1-2H3,(H,23,25)
InChIKeyASVQOVADEOROSD-UHFFFAOYSA-N
MW366.49 g/mol
LogP4.21
Rot. Bonds7

About N-[4-(diethylamino)phenyl]-2-quinazolin-4-ylsulfanylacetamide

N-[4-(diethylamino)phenyl]-2-quinazolin-4-ylsulfanylacetamide (PubChem CID 2361508) has the molecular formula C20H22N4OS and a molecular weight of 366.49 g/mol. Its IUPAC name is N-[4-(diethylamino)phenyl]-2-quinazolin-4-ylsulfanylacetamide.

Molecular Properties

Compound NameN-[4-(diethylamino)phenyl]-2-quinazolin-4-ylsulfanylacetamide
PubChem CID2361508
Molecular FormulaC20H22N4OS
Molecular Weight366.49 g/mol
Exact Mass366.15
IUPAC NameN-[4-(diethylamino)phenyl]-2-quinazolin-4-ylsulfanylacetamide
SMILESCCN(CC)c1ccc(NC(=O)CSc2ncnc3ccccc23)cc1
InChIInChI=1S/C20H22N4OS/c1-3-24(4-2)16-11-9-15(10-12-16)23-19(25)13-26-20-17-7-5-6-8-18(17)21-14-22-20/h5-12,14H,3-4,13H2,1-2H3,(H,23,25)
InChIKeyASVQOVADEOROSD-UHFFFAOYSA-N
XLogP4.21
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 54.21
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 N-[4-(diethylamino)phenyl]-2-quinazolin-4-ylsulfanylacetamide?
The IUPAC name of N-[4-(diethylamino)phenyl]-2-quinazolin-4-ylsulfanylacetamide (CID 2361508) is N-[4-(diethylamino)phenyl]-2-quinazolin-4-ylsulfanylacetamide.
What is the SMILES notation for N-[4-(diethylamino)phenyl]-2-quinazolin-4-ylsulfanylacetamide?
The canonical SMILES for N-[4-(diethylamino)phenyl]-2-quinazolin-4-ylsulfanylacetamide is CCN(CC)c1ccc(NC(=O)CSc2ncnc3ccccc23)cc1.
What is the InChIKey of N-[4-(diethylamino)phenyl]-2-quinazolin-4-ylsulfanylacetamide?
The InChIKey is ASVQOVADEOROSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4OS/c1-3-24(4-2)16-11-9-15(10-12-16)23-19(25)13-26-20-17-7-5-6-8-18(17)21-14-22-20/h5-12,14H,3-4,13H2,1-2H3,(H,23,25).
What are the key properties of N-[4-(diethylamino)phenyl]-2-quinazolin-4-ylsulfanylacetamide?
N-[4-(diethylamino)phenyl]-2-quinazolin-4-ylsulfanylacetamide has a molecular weight of 366.49 g/mol, XLogP of 4.21, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)phenyl]-2-quinazolin-4-ylsulfanylacetamide is sourced from PubChem (CID 2361508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).