N-(4-butylphenyl)-2-[[1-[2-(diethylamino)ethyl]-2-oxo-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]acetamide

C26H38N4O2S — CID 18578752

IUPACN-(4-butylphenyl)-2-[[1-[2-(diethylamino)ethyl]-2-oxo-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]acetamide
SMILESCCCCc1ccc(NC(=O)CSc2nc(=O)n(CCN(CC)CC)c3c2CCCC3)cc1
InChIInChI=1S/C26H38N4O2S/c1-4-7-10-20-13-15-21(16-14-20)27-24(31)19-33-25-22-11-8-9-12-23(22)30(26(32)28-25)18-17-29(5-2)6-3/h13-16H,4-12,17-19H2,1-3H3,(H,27,31)
InChIKeyNQJAPIPSIMWFCA-UHFFFAOYSA-N
MW470.68 g/mol
LogP4.54
Rot. Bonds12

About N-(4-butylphenyl)-2-[[1-[2-(diethylamino)ethyl]-2-oxo-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]acetamide

N-(4-butylphenyl)-2-[[1-[2-(diethylamino)ethyl]-2-oxo-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]acetamide (PubChem CID 18578752) has the molecular formula C26H38N4O2S and a molecular weight of 470.68 g/mol. Its IUPAC name is N-(4-butylphenyl)-2-[[1-[2-(diethylamino)ethyl]-2-oxo-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(4-butylphenyl)-2-[[1-[2-(diethylamino)ethyl]-2-oxo-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]acetamide
PubChem CID18578752
Molecular FormulaC26H38N4O2S
Molecular Weight470.68 g/mol
Exact Mass470.27
IUPAC NameN-(4-butylphenyl)-2-[[1-[2-(diethylamino)ethyl]-2-oxo-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]acetamide
SMILESCCCCc1ccc(NC(=O)CSc2nc(=O)n(CCN(CC)CC)c3c2CCCC3)cc1
InChIInChI=1S/C26H38N4O2S/c1-4-7-10-20-13-15-21(16-14-20)27-24(31)19-33-25-22-11-8-9-12-23(22)30(26(32)28-25)18-17-29(5-2)6-3/h13-16H,4-12,17-19H2,1-3H3,(H,27,31)
InChIKeyNQJAPIPSIMWFCA-UHFFFAOYSA-N
XLogP4.54
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.68
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-butylphenyl)-2-[[1-[2-(diethylamino)ethyl]-2-oxo-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]acetamide?
The IUPAC name of N-(4-butylphenyl)-2-[[1-[2-(diethylamino)ethyl]-2-oxo-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]acetamide (CID 18578752) is N-(4-butylphenyl)-2-[[1-[2-(diethylamino)ethyl]-2-oxo-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(4-butylphenyl)-2-[[1-[2-(diethylamino)ethyl]-2-oxo-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]acetamide?
The canonical SMILES for N-(4-butylphenyl)-2-[[1-[2-(diethylamino)ethyl]-2-oxo-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]acetamide is CCCCc1ccc(NC(=O)CSc2nc(=O)n(CCN(CC)CC)c3c2CCCC3)cc1.
What is the InChIKey of N-(4-butylphenyl)-2-[[1-[2-(diethylamino)ethyl]-2-oxo-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]acetamide?
The InChIKey is NQJAPIPSIMWFCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38N4O2S/c1-4-7-10-20-13-15-21(16-14-20)27-24(31)19-33-25-22-11-8-9-12-23(22)30(26(32)28-25)18-17-29(5-2)6-3/h13-16H,4-12,17-19H2,1-3H3,(H,27,31).
What are the key properties of N-(4-butylphenyl)-2-[[1-[2-(diethylamino)ethyl]-2-oxo-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]acetamide?
N-(4-butylphenyl)-2-[[1-[2-(diethylamino)ethyl]-2-oxo-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]acetamide has a molecular weight of 470.68 g/mol, XLogP of 4.54, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butylphenyl)-2-[[1-[2-(diethylamino)ethyl]-2-oxo-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]acetamide is sourced from PubChem (CID 18578752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).