N-[4-[7-[3-(dimethylamino)propoxy]quinazolin-2-yl]sulfanylphenyl]acetamide

C21H24N4O2S — CID 141054112

IUPACN-[4-[7-[3-(dimethylamino)propoxy]quinazolin-2-yl]sulfanylphenyl]acetamide
SMILESCC(=O)Nc1ccc(Sc2ncc3ccc(OCCCN(C)C)cc3n2)cc1
InChIInChI=1S/C21H24N4O2S/c1-15(26)23-17-6-9-19(10-7-17)28-21-22-14-16-5-8-18(13-20(16)24-21)27-12-4-11-25(2)3/h5-10,13-14H,4,11-12H2,1-3H3,(H,23,26)
InChIKeyQQPBFKDOBWBNQA-UHFFFAOYSA-N
MW396.52 g/mol
LogP4.07
Rot. Bonds8

About N-[4-[7-[3-(dimethylamino)propoxy]quinazolin-2-yl]sulfanylphenyl]acetamide

N-[4-[7-[3-(dimethylamino)propoxy]quinazolin-2-yl]sulfanylphenyl]acetamide (PubChem CID 141054112) has the molecular formula C21H24N4O2S and a molecular weight of 396.52 g/mol. Its IUPAC name is N-[4-[7-[3-(dimethylamino)propoxy]quinazolin-2-yl]sulfanylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-[7-[3-(dimethylamino)propoxy]quinazolin-2-yl]sulfanylphenyl]acetamide
PubChem CID141054112
Molecular FormulaC21H24N4O2S
Molecular Weight396.52 g/mol
Exact Mass396.16
IUPAC NameN-[4-[7-[3-(dimethylamino)propoxy]quinazolin-2-yl]sulfanylphenyl]acetamide
SMILESCC(=O)Nc1ccc(Sc2ncc3ccc(OCCCN(C)C)cc3n2)cc1
InChIInChI=1S/C21H24N4O2S/c1-15(26)23-17-6-9-19(10-7-17)28-21-22-14-16-5-8-18(13-20(16)24-21)27-12-4-11-25(2)3/h5-10,13-14H,4,11-12H2,1-3H3,(H,23,26)
InChIKeyQQPBFKDOBWBNQA-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-[8-[3-(dimethylamino)propoxy]quinazolin-2-yl]sulfanylphenyl]acetamide
CID 141054100
N-[3-[3-(dimethylamino)propoxy]phenyl]acetamide
CID 71811695
N-[3-[3-(dimethylamino)propoxy]-4-iodophenyl]acetamide
CID 67633417
N-[2-[2-(dimethylamino)ethoxy]quinolin-6-yl]acetamide
CID 45273437
2-[6-[2-(dimethylamino)ethoxy]acridin-3-yl]oxy-N,N-dimethylethanamine
CID 20553504
2-(4-acetamidophenyl)sulfanylethyl acetate
CID 71349184
3-(dimethylamino)propyl N-[4-[4-amino-5-(5-methyl-1H-pyrazol-3-yl)quinazolin-2-yl]sulfanylphenyl]carbamate
CID 10310961
N-[4-(3-chloropropoxy)phenyl]acetamide
CID 5147668
N-[4-(5-aminopyrazin-2-yl)sulfanylphenyl]acetamide
CID 80664432
N-[4-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]sulfanyl]phenyl]acetamide
CID 80864660
N-[4-[3-(dimethylamino)propoxy]phenyl]-2-naphthalen-1-ylacetamide
CID 86898258
N-[4-[3-(dimethylamino)propoxy]phenyl]-4-ethylbenzamide
CID 86898199

Frequently Asked Questions

What is the IUPAC name of N-[4-[7-[3-(dimethylamino)propoxy]quinazolin-2-yl]sulfanylphenyl]acetamide?
The IUPAC name of N-[4-[7-[3-(dimethylamino)propoxy]quinazolin-2-yl]sulfanylphenyl]acetamide (CID 141054112) is N-[4-[7-[3-(dimethylamino)propoxy]quinazolin-2-yl]sulfanylphenyl]acetamide.
What is the SMILES notation for N-[4-[7-[3-(dimethylamino)propoxy]quinazolin-2-yl]sulfanylphenyl]acetamide?
The canonical SMILES for N-[4-[7-[3-(dimethylamino)propoxy]quinazolin-2-yl]sulfanylphenyl]acetamide is CC(=O)Nc1ccc(Sc2ncc3ccc(OCCCN(C)C)cc3n2)cc1.
What is the InChIKey of N-[4-[7-[3-(dimethylamino)propoxy]quinazolin-2-yl]sulfanylphenyl]acetamide?
The InChIKey is QQPBFKDOBWBNQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2S/c1-15(26)23-17-6-9-19(10-7-17)28-21-22-14-16-5-8-18(13-20(16)24-21)27-12-4-11-25(2)3/h5-10,13-14H,4,11-12H2,1-3H3,(H,23,26).
What are the key properties of N-[4-[7-[3-(dimethylamino)propoxy]quinazolin-2-yl]sulfanylphenyl]acetamide?
N-[4-[7-[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-[7-[3-(dimethylamino)propoxy]quinazolin-2-yl]sulfanylphenyl]acetamide is sourced from PubChem (CID 141054112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).