N-(3-acetylphenyl)-2-[[1-[2-(diethylamino)ethyl]-2-oxo-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]acetamide

C24H32N4O3S — CID 18578749

IUPACN-(3-acetylphenyl)-2-[[1-[2-(diethylamino)ethyl]-2-oxo-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]acetamide
SMILESCCN(CC)CCn1c2c(c(SCC(=O)Nc3cccc(C(C)=O)c3)nc1=O)CCCC2
InChIInChI=1S/C24H32N4O3S/c1-4-27(5-2)13-14-28-21-12-7-6-11-20(21)23(26-24(28)31)32-16-22(30)25-19-10-8-9-18(15-19)17(3)29/h8-10,15H,4-7,11-14,16H2,1-3H3,(H,25,30)
InChIKeyXYPIZNKDPCOXHY-UHFFFAOYSA-N
MW456.61 g/mol
LogP3.40
Rot. Bonds10

About N-(3-acetylphenyl)-2-[[1-[2-(diethylamino)ethyl]-2-oxo-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]acetamide

N-(3-acetylphenyl)-2-[[1-[2-(diethylamino)ethyl]-2-oxo-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]acetamide (PubChem CID 18578749) has the molecular formula C24H32N4O3S and a molecular weight of 456.61 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2-[[1-[2-(diethylamino)ethyl]-2-oxo-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2-[[1-[2-(diethylamino)ethyl]-2-oxo-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]acetamide
PubChem CID18578749
Molecular FormulaC24H32N4O3S
Molecular Weight456.61 g/mol
Exact Mass456.22
IUPAC NameN-(3-acetylphenyl)-2-[[1-[2-(diethylamino)ethyl]-2-oxo-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]acetamide
SMILESCCN(CC)CCn1c2c(c(SCC(=O)Nc3cccc(C(C)=O)c3)nc1=O)CCCC2
InChIInChI=1S/C24H32N4O3S/c1-4-27(5-2)13-14-28-21-12-7-6-11-20(21)23(26-24(28)31)32-16-22(30)25-19-10-8-9-18(15-19)17(3)29/h8-10,15H,4-7,11-14,16H2,1-3H3,(H,25,30)
InChIKeyXYPIZNKDPCOXHY-UHFFFAOYSA-N
XLogP3.40
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.61
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2-[[1-[2-(diethylamino)ethyl]-2-oxo-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]acetamide?
The IUPAC name of N-(3-acetylphenyl)-2-[[1-[2-(diethylamino)ethyl]-2-oxo-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]acetamide (CID 18578749) is N-(3-acetylphenyl)-2-[[1-[2-(diethylamino)ethyl]-2-oxo-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(3-acetylphenyl)-2-[[1-[2-(diethylamino)ethyl]-2-oxo-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]acetamide?
The canonical SMILES for N-(3-acetylphenyl)-2-[[1-[2-(diethylamino)ethyl]-2-oxo-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]acetamide is CCN(CC)CCn1c2c(c(SCC(=O)Nc3cccc(C(C)=O)c3)nc1=O)CCCC2.
What is the InChIKey of N-(3-acetylphenyl)-2-[[1-[2-(diethylamino)ethyl]-2-oxo-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]acetamide?
The InChIKey is XYPIZNKDPCOXHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O3S/c1-4-27(5-2)13-14-28-21-12-7-6-11-20(21)23(26-24(28)31)32-16-22(30)25-19-10-8-9-18(15-19)17(3)29/h8-10,15H,4-7,11-14,16H2,1-3H3,(H,25,30).
What are the key properties of N-(3-acetylphenyl)-2-[[1-[2-(diethylamino)ethyl]-2-oxo-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]acetamide?
N-(3-acetylphenyl)-2-[[1-[2-(diethylamino)ethyl]-2-oxo-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]acetamide has a molecular weight of 456.61 g/mol, XLogP of 3.40, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-2-[[1-[2-(diethylamino)ethyl]-2-oxo-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]acetamide is sourced from PubChem (CID 18578749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).