N-(3-methoxyphenyl)-2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)sulfanyl]acetamide

C17H19N3O3S — CID 7185449

IUPACN-(3-methoxyphenyl)-2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)sulfanyl]acetamide
SMILESCOc1cccc(NC(=O)CSc2nc(=O)[nH]c3c2CCCC3)c1
InChIInChI=1S/C17H19N3O3S/c1-23-12-6-4-5-11(9-12)18-15(21)10-24-16-13-7-2-3-8-14(13)19-17(22)20-16/h4-6,9H,2-3,7-8,10H2,1H3,(H,18,21)(H,19,20,22)
InChIKeyHETICIAZKVITPM-UHFFFAOYSA-N
MW345.42 g/mol
LogP2.39
Rot. Bonds5

About N-(3-methoxyphenyl)-2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)sulfanyl]acetamide

N-(3-methoxyphenyl)-2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)sulfanyl]acetamide (PubChem CID 7185449) has the molecular formula C17H19N3O3S and a molecular weight of 345.42 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)sulfanyl]acetamide
PubChem CID7185449
Molecular FormulaC17H19N3O3S
Molecular Weight345.42 g/mol
Exact Mass345.11
IUPAC NameN-(3-methoxyphenyl)-2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)sulfanyl]acetamide
SMILESCOc1cccc(NC(=O)CSc2nc(=O)[nH]c3c2CCCC3)c1
InChIInChI=1S/C17H19N3O3S/c1-23-12-6-4-5-11(9-12)18-15(21)10-24-16-13-7-2-3-8-14(13)19-17(22)20-16/h4-6,9H,2-3,7-8,10H2,1H3,(H,18,21)(H,19,20,22)
InChIKeyHETICIAZKVITPM-UHFFFAOYSA-N
XLogP2.39
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)sulfanyl]acetamide?
The IUPAC name of N-(3-methoxyphenyl)-2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)sulfanyl]acetamide (CID 7185449) is N-(3-methoxyphenyl)-2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(3-methoxyphenyl)-2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)sulfanyl]acetamide?
The canonical SMILES for N-(3-methoxyphenyl)-2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)sulfanyl]acetamide is COc1cccc(NC(=O)CSc2nc(=O)[nH]c3c2CCCC3)c1.
What is the InChIKey of N-(3-methoxyphenyl)-2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)sulfanyl]acetamide?
The InChIKey is HETICIAZKVITPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3S/c1-23-12-6-4-5-11(9-12)18-15(21)10-24-16-13-7-2-3-8-14(13)19-17(22)20-16/h4-6,9H,2-3,7-8,10H2,1H3,(H,18,21)(H,19,20,22).
What are the key properties of N-(3-methoxyphenyl)-2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)sulfanyl]acetamide?
N-(3-methoxyphenyl)-2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)sulfanyl]acetamide has a molecular weight of 345.42 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)sulfanyl]acetamide is sourced from PubChem (CID 7185449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).