N-nonyl-6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide

C23H35N3O2S — CID 43052246

IUPACN-nonyl-6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide
SMILESCCCCCCCCCNC(=O)CCCCCn1c(=S)[nH]c2ccccc2c1=O
InChIInChI=1S/C23H35N3O2S/c1-2-3-4-5-6-7-12-17-24-21(27)16-9-8-13-18-26-22(28)19-14-10-11-15-20(19)25-23(26)29/h10-11,14-15H,2-9,12-13,16-18H2,1H3,(H,24,27)(H,25,29)
InChIKeyZZQKKXSLXFCXNZ-UHFFFAOYSA-N
MW417.62 g/mol
LogP5.49
Rot. Bonds14

About N-nonyl-6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide

N-nonyl-6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide (PubChem CID 43052246) has the molecular formula C23H35N3O2S and a molecular weight of 417.62 g/mol. Its IUPAC name is N-nonyl-6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide.

Molecular Properties

Compound NameN-nonyl-6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide
PubChem CID43052246
Molecular FormulaC23H35N3O2S
Molecular Weight417.62 g/mol
Exact Mass417.24
IUPAC NameN-nonyl-6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide
SMILESCCCCCCCCCNC(=O)CCCCCn1c(=S)[nH]c2ccccc2c1=O
InChIInChI=1S/C23H35N3O2S/c1-2-3-4-5-6-7-12-17-24-21(27)16-9-8-13-18-26-22(28)19-14-10-11-15-20(19)25-23(26)29/h10-11,14-15H,2-9,12-13,16-18H2,1H3,(H,24,27)(H,25,29)
InChIKeyZZQKKXSLXFCXNZ-UHFFFAOYSA-N
XLogP5.49
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.62
LogP ≤ 55.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-heptan-2-yl-6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide
CID 43043606
6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-pentan-3-ylhexanamide
CID 134030146
5-(2,4-dioxo-1H-quinazolin-3-yl)-N-propylpentanamide
CID 119103654
N-[4-(4-fluorophenoxy)butyl]-6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide
CID 42572495
N-benzyl-4-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)butanamide
CID 3509459
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide
CID 78820641
N-[2-(tert-butylamino)-2-oxoethyl]-6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide
CID 24550344
6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-(pyridin-4-ylmethyl)hexanamide
CID 17469037
N-[(1,5-dimethylpyrrol-2-yl)methyl]-6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide
CID 31218879
N-[(4-ethyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide
CID 56543554
N-[2-(cyclopropylamino)-2-oxoethyl]-6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide
CID 18163866
5-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)pentanamide
CID 106236215

Frequently Asked Questions

What is the IUPAC name of N-nonyl-6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide?
The IUPAC name of N-nonyl-6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide (CID 43052246) is N-nonyl-6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide.
What is the SMILES notation for N-nonyl-6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide?
The canonical SMILES for N-nonyl-6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide is CCCCCCCCCNC(=O)CCCCCn1c(=S)[nH]c2ccccc2c1=O.
What is the InChIKey of N-nonyl-6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide?
The InChIKey is ZZQKKXSLXFCXNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N3O2S/c1-2-3-4-5-6-7-12-17-24-21(27)16-9-8-13-18-26-22(28)19-14-10-11-15-20(19)25-23(26)29/h10-11,14-15H,2-9,12-13,16-18H2,1H3,(H,24,27)(H,25,29).
What are the key properties of N-nonyl-6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide?
N-nonyl-6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide has a molecular weight of 417.62 g/mol, XLogP of 5.49, 14 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-nonyl-6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide is sourced from PubChem (CID 43052246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).