2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]-N,N-dipropylacetamide

C16H21N3O2S — CID 136686194

IUPAC2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)CSc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C16H21N3O2S/c1-3-9-19(10-4-2)14(20)11-22-16-17-13-8-6-5-7-12(13)15(21)18-16/h5-8H,3-4,9-11H2,1-2H3,(H,17,18,21)
InChIKeyIPTGZQXZDWGUGX-UHFFFAOYSA-N
MW319.43 g/mol
LogP2.66
Rot. Bonds7

About 2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]-N,N-dipropylacetamide

2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]-N,N-dipropylacetamide (PubChem CID 136686194) has the molecular formula C16H21N3O2S and a molecular weight of 319.43 g/mol. Its IUPAC name is 2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]-N,N-dipropylacetamide.

Molecular Properties

Compound Name2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]-N,N-dipropylacetamide
PubChem CID136686194
Molecular FormulaC16H21N3O2S
Molecular Weight319.43 g/mol
Exact Mass319.14
IUPAC Name2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)CSc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C16H21N3O2S/c1-3-9-19(10-4-2)14(20)11-22-16-17-13-8-6-5-7-12(13)15(21)18-16/h5-8H,3-4,9-11H2,1-2H3,(H,17,18,21)
InChIKeyIPTGZQXZDWGUGX-UHFFFAOYSA-N
XLogP2.66
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]-N,N-diphenylacetamide
CID 136686130
2-hexylsulfanyl-3H-quinazolin-4-one
CID 135492059
2-heptylsulfanyl-3H-quinazolin-4-one
CID 135464963
2-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-3H-quinazolin-4-one
CID 135415502
N-(4-methylphenyl)-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]acetamide
CID 135450400
N-(4-hydroxyphenyl)-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]acetamide
CID 176729757
N,N-diethyl-2-[(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)sulfanyl]acetamide
CID 135543515
2-[[5-cyano-4-(4-methylphenyl)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N,N-dipropylacetamide
CID 135552495
3-amino-2-[2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]acetyl]but-2-enenitrile
CID 135413956
N-(4-chloro-2-methylphenyl)-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]acetamide
CID 137119586
N-(4-fluoro-2-methylphenyl)-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]acetamide
CID 135732855
N-(2-methoxyphenyl)-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]acetamide
CID 135518456

Frequently Asked Questions

What is the IUPAC name of 2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]-N,N-dipropylacetamide?
The IUPAC name of 2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]-N,N-dipropylacetamide (CID 136686194) is 2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]-N,N-dipropylacetamide.
What is the SMILES notation for 2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]-N,N-dipropylacetamide?
The canonical SMILES for 2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]-N,N-dipropylacetamide is CCCN(CCC)C(=O)CSc1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of 2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]-N,N-dipropylacetamide?
The InChIKey is IPTGZQXZDWGUGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2S/c1-3-9-19(10-4-2)14(20)11-22-16-17-13-8-6-5-7-12(13)15(21)18-16/h5-8H,3-4,9-11H2,1-2H3,(H,17,18,21).
What are the key properties of 2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]-N,N-dipropylacetamide?
2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]-N,N-dipropylacetamide has a molecular weight of 319.43 g/mol, XLogP of 2.66, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]-N,N-dipropylacetamide is sourced from PubChem (CID 136686194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).