N-(2,5-dimethylphenyl)-2-[[2-oxo-1-(pyridin-3-ylmethyl)-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]acetamide

C24H26N4O2S — CID 18581320

IUPACN-(2,5-dimethylphenyl)-2-[[2-oxo-1-(pyridin-3-ylmethyl)-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]acetamide
SMILESCc1ccc(C)c(NC(=O)CSc2nc(=O)n(Cc3cccnc3)c3c2CCCC3)c1
InChIInChI=1S/C24H26N4O2S/c1-16-9-10-17(2)20(12-16)26-22(29)15-31-23-19-7-3-4-8-21(19)28(24(30)27-23)14-18-6-5-11-25-13-18/h5-6,9-13H,3-4,7-8,14-15H2,1-2H3,(H,26,29)
InChIKeyDLQOCAZBWUGWKN-UHFFFAOYSA-N
MW434.57 g/mol
LogP3.91
Rot. Bonds6

About N-(2,5-dimethylphenyl)-2-[[2-oxo-1-(pyridin-3-ylmethyl)-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]acetamide

N-(2,5-dimethylphenyl)-2-[[2-oxo-1-(pyridin-3-ylmethyl)-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]acetamide (PubChem CID 18581320) has the molecular formula C24H26N4O2S and a molecular weight of 434.57 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-2-[[2-oxo-1-(pyridin-3-ylmethyl)-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-2-[[2-oxo-1-(pyridin-3-ylmethyl)-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]acetamide
PubChem CID18581320
Molecular FormulaC24H26N4O2S
Molecular Weight434.57 g/mol
Exact Mass434.18
IUPAC NameN-(2,5-dimethylphenyl)-2-[[2-oxo-1-(pyridin-3-ylmethyl)-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]acetamide
SMILESCc1ccc(C)c(NC(=O)CSc2nc(=O)n(Cc3cccnc3)c3c2CCCC3)c1
InChIInChI=1S/C24H26N4O2S/c1-16-9-10-17(2)20(12-16)26-22(29)15-31-23-19-7-3-4-8-21(19)28(24(30)27-23)14-18-6-5-11-25-13-18/h5-6,9-13H,3-4,7-8,14-15H2,1-2H3,(H,26,29)
InChIKeyDLQOCAZBWUGWKN-UHFFFAOYSA-N
XLogP3.91
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.57
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-2-[[2-oxo-1-(pyridin-3-ylmethyl)-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]acetamide?
The IUPAC name of N-(2,5-dimethylphenyl)-2-[[2-oxo-1-(pyridin-3-ylmethyl)-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]acetamide (CID 18581320) is N-(2,5-dimethylphenyl)-2-[[2-oxo-1-(pyridin-3-ylmethyl)-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-2-[[2-oxo-1-(pyridin-3-ylmethyl)-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]acetamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-2-[[2-oxo-1-(pyridin-3-ylmethyl)-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]acetamide is Cc1ccc(C)c(NC(=O)CSc2nc(=O)n(Cc3cccnc3)c3c2CCCC3)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-2-[[2-oxo-1-(pyridin-3-ylmethyl)-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]acetamide?
The InChIKey is DLQOCAZBWUGWKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2S/c1-16-9-10-17(2)20(12-16)26-22(29)15-31-23-19-7-3-4-8-21(19)28(24(30)27-23)14-18-6-5-11-25-13-18/h5-6,9-13H,3-4,7-8,14-15H2,1-2H3,(H,26,29).
What are the key properties of N-(2,5-dimethylphenyl)-2-[[2-oxo-1-(pyridin-3-ylmethyl)-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]acetamide?
N-(2,5-dimethylphenyl)-2-[[2-oxo-1-(pyridin-3-ylmethyl)-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]acetamide has a molecular weight of 434.57 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-2-[[2-oxo-1-(pyridin-3-ylmethyl)-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]acetamide is sourced from PubChem (CID 18581320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).