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

C17H18ClN3O3S — CID 7185457

IUPACN-(5-chloro-2-methoxyphenyl)-2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)sulfanyl]acetamide
SMILESCOc1ccc(Cl)cc1NC(=O)CSc1nc(=O)[nH]c2c1CCCC2
InChIInChI=1S/C17H18ClN3O3S/c1-24-14-7-6-10(18)8-13(14)19-15(22)9-25-16-11-4-2-3-5-12(11)20-17(23)21-16/h6-8H,2-5,9H2,1H3,(H,19,22)(H,20,21,23)
InChIKeyPZPDQRVBYVQFBZ-UHFFFAOYSA-N
MW379.87 g/mol
LogP3.04
Rot. Bonds5

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

N-(5-chloro-2-methoxyphenyl)-2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)sulfanyl]acetamide (PubChem CID 7185457) has the molecular formula C17H18ClN3O3S and a molecular weight of 379.87 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)sulfanyl]acetamide
PubChem CID7185457
Molecular FormulaC17H18ClN3O3S
Molecular Weight379.87 g/mol
Exact Mass379.08
IUPAC NameN-(5-chloro-2-methoxyphenyl)-2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)sulfanyl]acetamide
SMILESCOc1ccc(Cl)cc1NC(=O)CSc1nc(=O)[nH]c2c1CCCC2
InChIInChI=1S/C17H18ClN3O3S/c1-24-14-7-6-10(18)8-13(14)19-15(22)9-25-16-11-4-2-3-5-12(11)20-17(23)21-16/h6-8H,2-5,9H2,1H3,(H,19,22)(H,20,21,23)
InChIKeyPZPDQRVBYVQFBZ-UHFFFAOYSA-N
XLogP3.04
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.87
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)sulfanyl]acetamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)sulfanyl]acetamide (CID 7185457) is N-(5-chloro-2-methoxyphenyl)-2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)sulfanyl]acetamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)sulfanyl]acetamide is COc1ccc(Cl)cc1NC(=O)CSc1nc(=O)[nH]c2c1CCCC2.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)sulfanyl]acetamide?
The InChIKey is PZPDQRVBYVQFBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O3S/c1-24-14-7-6-10(18)8-13(14)19-15(22)9-25-16-11-4-2-3-5-12(11)20-17(23)21-16/h6-8H,2-5,9H2,1H3,(H,19,22)(H,20,21,23).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)sulfanyl]acetamide?
N-(5-chloro-2-methoxyphenyl)-2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)sulfanyl]acetamide has a molecular weight of 379.87 g/mol, XLogP of 3.04, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)sulfanyl]acetamide is sourced from PubChem (CID 7185457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).