N-[[4-(dimethylamino)phenyl]methyl]-2-[2-(furan-2-yl)quinazolin-4-yl]sulfanyl-N-methylacetamide

C24H24N4O2S — CID 24585518

IUPACN-[[4-(dimethylamino)phenyl]methyl]-2-[2-(furan-2-yl)quinazolin-4-yl]sulfanyl-N-methylacetamide
SMILESCN(Cc1ccc(N(C)C)cc1)C(=O)CSc1nc(-c2ccco2)nc2ccccc12
InChIInChI=1S/C24H24N4O2S/c1-27(2)18-12-10-17(11-13-18)15-28(3)22(29)16-31-24-19-7-4-5-8-20(19)25-23(26-24)21-9-6-14-30-21/h4-14H,15-16H2,1-3H3
InChIKeySDGLOEQIQOXLIY-UHFFFAOYSA-N
MW432.55 g/mol
LogP4.71
Rot. Bonds7

About N-[[4-(dimethylamino)phenyl]methyl]-2-[2-(furan-2-yl)quinazolin-4-yl]sulfanyl-N-methylacetamide

N-[[4-(dimethylamino)phenyl]methyl]-2-[2-(furan-2-yl)quinazolin-4-yl]sulfanyl-N-methylacetamide (PubChem CID 24585518) has the molecular formula C24H24N4O2S and a molecular weight of 432.55 g/mol. Its IUPAC name is N-[[4-(dimethylamino)phenyl]methyl]-2-[2-(furan-2-yl)quinazolin-4-yl]sulfanyl-N-methylacetamide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)phenyl]methyl]-2-[2-(furan-2-yl)quinazolin-4-yl]sulfanyl-N-methylacetamide
PubChem CID24585518
Molecular FormulaC24H24N4O2S
Molecular Weight432.55 g/mol
Exact Mass432.16
IUPAC NameN-[[4-(dimethylamino)phenyl]methyl]-2-[2-(furan-2-yl)quinazolin-4-yl]sulfanyl-N-methylacetamide
SMILESCN(Cc1ccc(N(C)C)cc1)C(=O)CSc1nc(-c2ccco2)nc2ccccc12
InChIInChI=1S/C24H24N4O2S/c1-27(2)18-12-10-17(11-13-18)15-28(3)22(29)16-31-24-19-7-4-5-8-20(19)25-23(26-24)21-9-6-14-30-21/h4-14H,15-16H2,1-3H3
InChIKeySDGLOEQIQOXLIY-UHFFFAOYSA-N
XLogP4.71
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.55
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

2-[2-(furan-2-yl)quinazolin-4-yl]sulfanyl-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 24585507
N-(2-cyanoethyl)-2-[2-(furan-2-yl)quinazolin-4-yl]sulfanyl-N-methylacetamide
CID 17444327
3-[benzyl-[2-[2-(furan-2-yl)quinazolin-4-yl]sulfanylacetyl]amino]propanamide
CID 55490415
N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2-[2-(furan-2-yl)quinazolin-4-yl]sulfanylacetamide
CID 24585506
N-(2-cyanoethyl)-2-[2-(furan-2-yl)quinazolin-4-yl]sulfanyl-N-phenylacetamide
CID 46687618
N-[(4-fluorophenyl)methyl]-2-[2-(furan-2-yl)quinazolin-4-yl]sulfanylacetamide
CID 46679609
methyl 2-[[2-[2-(furan-2-yl)quinazolin-4-yl]sulfanylacetyl]amino]acetate
CID 17444323
N-benzyl-2-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-methylacetamide
CID 7816845
N-(2-ethyl-6-methylphenyl)-2-[2-(furan-2-yl)quinazolin-4-yl]sulfanylacetamide
CID 46687521
2-[2-(furan-2-yl)quinazolin-4-yl]sulfanyl-N-(2-methylcyclohexyl)acetamide
CID 55490706
2-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-N-[(4-methylphenyl)methyl]acetamide
CID 16516590
N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 9345012

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-2-[2-(furan-2-yl)quinazolin-4-yl]sulfanyl-N-methylacetamide?
The IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-2-[2-(furan-2-yl)quinazolin-4-yl]sulfanyl-N-methylacetamide (CID 24585518) is N-[[4-(dimethylamino)phenyl]methyl]-2-[2-(furan-2-yl)quinazolin-4-yl]sulfanyl-N-methylacetamide.
What is the SMILES notation for N-[[4-(dimethylamino)phenyl]methyl]-2-[2-(furan-2-yl)quinazolin-4-yl]sulfanyl-N-methylacetamide?
The canonical SMILES for N-[[4-(dimethylamino)phenyl]methyl]-2-[2-(furan-2-yl)quinazolin-4-yl]sulfanyl-N-methylacetamide is CN(Cc1ccc(N(C)C)cc1)C(=O)CSc1nc(-c2ccco2)nc2ccccc12.
What is the InChIKey of N-[[4-(dimethylamino)phenyl]methyl]-2-[2-(furan-2-yl)quinazolin-4-yl]sulfanyl-N-methylacetamide?
The InChIKey is SDGLOEQIQOXLIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2S/c1-27(2)18-12-10-17(11-13-18)15-28(3)22(29)16-31-24-19-7-4-5-8-20(19)25-23(26-24)21-9-6-14-30-21/h4-14H,15-16H2,1-3H3.
What are the key properties of N-[[4-(dimethylamino)phenyl]methyl]-2-[2-(furan-2-yl)quinazolin-4-yl]sulfanyl-N-methylacetamide?
N-[[4-(dimethylamino)phenyl]methyl]-2-[2-(furan-2-yl)quinazolin-4-yl]sulfanyl-N-methylacetamide has a molecular weight of 432.55 g/mol, XLogP of 4.71, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)phenyl]methyl]-2-[2-(furan-2-yl)quinazolin-4-yl]sulfanyl-N-methylacetamide is sourced from PubChem (CID 24585518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).