N-butyl-2-(3-butyl-6-morpholin-4-yl-4-oxoquinazolin-2-yl)sulfanylacetamide

C22H32N4O3S — CID 22589719

IUPACN-butyl-2-(3-butyl-6-morpholin-4-yl-4-oxoquinazolin-2-yl)sulfanylacetamide
SMILESCCCCNC(=O)CSc1nc2ccc(N3CCOCC3)cc2c(=O)n1CCCC
InChIInChI=1S/C22H32N4O3S/c1-3-5-9-23-20(27)16-30-22-24-19-8-7-17(25-11-13-29-14-12-25)15-18(19)21(28)26(22)10-6-4-2/h7-8,15H,3-6,9-14,16H2,1-2H3,(H,23,27)
InChIKeyQSVFEJVKWJMMCH-UHFFFAOYSA-N
MW432.59 g/mol
LogP3.04
Rot. Bonds10

About N-butyl-2-(3-butyl-6-morpholin-4-yl-4-oxoquinazolin-2-yl)sulfanylacetamide

N-butyl-2-(3-butyl-6-morpholin-4-yl-4-oxoquinazolin-2-yl)sulfanylacetamide (PubChem CID 22589719) has the molecular formula C22H32N4O3S and a molecular weight of 432.59 g/mol. Its IUPAC name is N-butyl-2-(3-butyl-6-morpholin-4-yl-4-oxoquinazolin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-butyl-2-(3-butyl-6-morpholin-4-yl-4-oxoquinazolin-2-yl)sulfanylacetamide
PubChem CID22589719
Molecular FormulaC22H32N4O3S
Molecular Weight432.59 g/mol
Exact Mass432.22
IUPAC NameN-butyl-2-(3-butyl-6-morpholin-4-yl-4-oxoquinazolin-2-yl)sulfanylacetamide
SMILESCCCCNC(=O)CSc1nc2ccc(N3CCOCC3)cc2c(=O)n1CCCC
InChIInChI=1S/C22H32N4O3S/c1-3-5-9-23-20(27)16-30-22-24-19-8-7-17(25-11-13-29-14-12-25)15-18(19)21(28)26(22)10-6-4-2/h7-8,15H,3-6,9-14,16H2,1-2H3,(H,23,27)
InChIKeyQSVFEJVKWJMMCH-UHFFFAOYSA-N
XLogP3.04
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.59
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-(4-morpholin-4-ylphenyl)acetamide
CID 29154591
2-(6-bromo-4-oxo-3-pentylquinazolin-2-yl)sulfanyl-N-propylacetamide
CID 2499104
N-butyl-2-[3-(2-morpholin-4-ium-4-ylethyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 5055398
2-(6-bromo-3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-butylacetamide
CID 18078900
3-butyl-2-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-6-morpholin-4-ylquinazolin-4-one
CID 5056775
N-(4-methoxyphenyl)-2-[3-[(4-methoxyphenyl)methyl]-6-morpholin-4-yl-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 3374072
N-butyl-2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanylacetamide
CID 7738113
N-butyl-2-[6-chloro-3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 7691661
2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide
CID 46606034
N-(2-methyl-2-morpholin-4-ylpropyl)-2-(4-oxo-3-propylquinazolin-2-yl)sulfanylacetamide
CID 34380670
2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2-methylpropyl)acetamide
CID 2696216
N-(2,5-dimethoxyphenyl)-2-[3-[(4-methoxyphenyl)methyl]-6-morpholin-4-yl-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 46370210

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(3-butyl-6-morpholin-4-yl-4-oxoquinazolin-2-yl)sulfanylacetamide?
The IUPAC name of N-butyl-2-(3-butyl-6-morpholin-4-yl-4-oxoquinazolin-2-yl)sulfanylacetamide (CID 22589719) is N-butyl-2-(3-butyl-6-morpholin-4-yl-4-oxoquinazolin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-butyl-2-(3-butyl-6-morpholin-4-yl-4-oxoquinazolin-2-yl)sulfanylacetamide?
The canonical SMILES for N-butyl-2-(3-butyl-6-morpholin-4-yl-4-oxoquinazolin-2-yl)sulfanylacetamide is CCCCNC(=O)CSc1nc2ccc(N3CCOCC3)cc2c(=O)n1CCCC.
What is the InChIKey of N-butyl-2-(3-butyl-6-morpholin-4-yl-4-oxoquinazolin-2-yl)sulfanylacetamide?
The InChIKey is QSVFEJVKWJMMCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O3S/c1-3-5-9-23-20(27)16-30-22-24-19-8-7-17(25-11-13-29-14-12-25)15-18(19)21(28)26(22)10-6-4-2/h7-8,15H,3-6,9-14,16H2,1-2H3,(H,23,27).
What are the key properties of N-butyl-2-(3-butyl-6-morpholin-4-yl-4-oxoquinazolin-2-yl)sulfanylacetamide?
N-butyl-2-(3-butyl-6-morpholin-4-yl-4-oxoquinazolin-2-yl)sulfanylacetamide has a molecular weight of 432.59 g/mol, XLogP of 3.04, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(3-butyl-6-morpholin-4-yl-4-oxoquinazolin-2-yl)sulfanylacetamide is sourced from PubChem (CID 22589719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).