N-[4-[8-[3-(dimethylamino)propoxy]quinazolin-2-yl]sulfanylphenyl]acetamide

C21H24N4O2S — CID 141054100

IUPACN-[4-[8-[3-(dimethylamino)propoxy]quinazolin-2-yl]sulfanylphenyl]acetamide
SMILESCC(=O)Nc1ccc(Sc2ncc3cccc(OCCCN(C)C)c3n2)cc1
InChIInChI=1S/C21H24N4O2S/c1-15(26)23-17-8-10-18(11-9-17)28-21-22-14-16-6-4-7-19(20(16)24-21)27-13-5-12-25(2)3/h4,6-11,14H,5,12-13H2,1-3H3,(H,23,26)
InChIKeyAMHVZBZERYOTCG-UHFFFAOYSA-N
MW396.52 g/mol
LogP4.07
Rot. Bonds8

About N-[4-[8-[3-(dimethylamino)propoxy]quinazolin-2-yl]sulfanylphenyl]acetamide

N-[4-[8-[3-(dimethylamino)propoxy]quinazolin-2-yl]sulfanylphenyl]acetamide (PubChem CID 141054100) has the molecular formula C21H24N4O2S and a molecular weight of 396.52 g/mol. Its IUPAC name is N-[4-[8-[3-(dimethylamino)propoxy]quinazolin-2-yl]sulfanylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-[8-[3-(dimethylamino)propoxy]quinazolin-2-yl]sulfanylphenyl]acetamide
PubChem CID141054100
Molecular FormulaC21H24N4O2S
Molecular Weight396.52 g/mol
Exact Mass396.16
IUPAC NameN-[4-[8-[3-(dimethylamino)propoxy]quinazolin-2-yl]sulfanylphenyl]acetamide
SMILESCC(=O)Nc1ccc(Sc2ncc3cccc(OCCCN(C)C)c3n2)cc1
InChIInChI=1S/C21H24N4O2S/c1-15(26)23-17-8-10-18(11-9-17)28-21-22-14-16-6-4-7-19(20(16)24-21)27-13-5-12-25(2)3/h4,6-11,14H,5,12-13H2,1-3H3,(H,23,26)
InChIKeyAMHVZBZERYOTCG-UHFFFAOYSA-N
XLogP4.07
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.52
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-[7-[3-(dimethylamino)propoxy]quinazolin-2-yl]sulfanylphenyl]acetamide
CID 141054112
N-[3-[3-(dimethylamino)propoxy]phenyl]acetamide
CID 71811695
N-[3-[3-(dimethylamino)propoxy]-4-iodophenyl]acetamide
CID 67633417
N-[4-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]sulfanyl]phenyl]acetamide
CID 80864660
1-[2-(dimethylamino)ethyl]-3-(2-quinolin-8-yloxyethyl)urea
CID 112975956
N-[4-(5-aminopyrazin-2-yl)sulfanylphenyl]acetamide
CID 80664432
4-(dimethylamino)-N-(8-sulfanylquinolin-3-yl)butanamide
CID 159127729
N-[4-[3-(dimethylamino)propoxy]phenyl]-2-naphthalen-1-ylacetamide
CID 86898258
1-[3-(dimethylamino)propyl]-3-(2-quinolin-8-yloxyethyl)urea
CID 112975958
3-(dimethylamino)propyl N-[4-[4-amino-5-(5-methyl-1H-pyrazol-3-yl)quinazolin-2-yl]sulfanylphenyl]carbamate
CID 10310961
2-(2-methylquinolin-8-yl)oxy-N-(4-methylsulfanylphenyl)acetamide
CID 24581925
N-[4-[2-(2-chlorophenoxy)ethylsulfanyl]phenyl]acetamide
CID 8819472

Frequently Asked Questions

What is the IUPAC name of N-[4-[8-[3-(dimethylamino)propoxy]quinazolin-2-yl]sulfanylphenyl]acetamide?
The IUPAC name of N-[4-[8-[3-(dimethylamino)propoxy]quinazolin-2-yl]sulfanylphenyl]acetamide (CID 141054100) is N-[4-[8-[3-(dimethylamino)propoxy]quinazolin-2-yl]sulfanylphenyl]acetamide.
What is the SMILES notation for N-[4-[8-[3-(dimethylamino)propoxy]quinazolin-2-yl]sulfanylphenyl]acetamide?
The canonical SMILES for N-[4-[8-[3-(dimethylamino)propoxy]quinazolin-2-yl]sulfanylphenyl]acetamide is CC(=O)Nc1ccc(Sc2ncc3cccc(OCCCN(C)C)c3n2)cc1.
What is the InChIKey of N-[4-[8-[3-(dimethylamino)propoxy]quinazolin-2-yl]sulfanylphenyl]acetamide?
The InChIKey is AMHVZBZERYOTCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2S/c1-15(26)23-17-8-10-18(11-9-17)28-21-22-14-16-6-4-7-19(20(16)24-21)27-13-5-12-25(2)3/h4,6-11,14H,5,12-13H2,1-3H3,(H,23,26).
What are the key properties of N-[4-[8-[3-(dimethylamino)propoxy]quinazolin-2-yl]sulfanylphenyl]acetamide?
N-[4-[8-[3-(dimethylamino)propoxy]quinazolin-2-yl]sulfanylphenyl]acetamide has a molecular weight of 396.52 g/mol, XLogP of 4.07, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[8-[3-(dimethylamino)propoxy]quinazolin-2-yl]sulfanylphenyl]acetamide is sourced from PubChem (CID 141054100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).