N-(2,4-difluorophenyl)-2-[(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)sulfanyl]acetamide

C18H17F2N3O2S — CID 619352

IUPACN-(2,4-difluorophenyl)-2-[(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)sulfanyl]acetamide
SMILESCC1(C)CC(=O)c2cnc(SCC(=O)Nc3ccc(F)cc3F)nc2C1
InChIInChI=1S/C18H17F2N3O2S/c1-18(2)6-14-11(15(24)7-18)8-21-17(23-14)26-9-16(25)22-13-4-3-10(19)5-12(13)20/h3-5,8H,6-7,9H2,1-2H3,(H,22,25)
InChIKeyQOAPRCBDPOYLES-UHFFFAOYSA-N
MW377.42 g/mol
LogP3.64
Rot. Bonds4

About N-(2,4-difluorophenyl)-2-[(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)sulfanyl]acetamide

N-(2,4-difluorophenyl)-2-[(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)sulfanyl]acetamide (PubChem CID 619352) has the molecular formula C18H17F2N3O2S and a molecular weight of 377.42 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-2-[(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-2-[(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)sulfanyl]acetamide
PubChem CID619352
Molecular FormulaC18H17F2N3O2S
Molecular Weight377.42 g/mol
Exact Mass377.10
IUPAC NameN-(2,4-difluorophenyl)-2-[(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)sulfanyl]acetamide
SMILESCC1(C)CC(=O)c2cnc(SCC(=O)Nc3ccc(F)cc3F)nc2C1
InChIInChI=1S/C18H17F2N3O2S/c1-18(2)6-14-11(15(24)7-18)8-21-17(23-14)26-9-16(25)22-13-4-3-10(19)5-12(13)20/h3-5,8H,6-7,9H2,1-2H3,(H,22,25)
InChIKeyQOAPRCBDPOYLES-UHFFFAOYSA-N
XLogP3.64
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2,4-difluorophenyl)-2-[(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)sulfanyl]acetamide with MolForge

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Related Compounds

2-(4-Ethylanilino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one
CID 1416467
2-[(2,4-dimethylphenyl)amino]-7-methyl-7,8-dihydroquinazolin-5(6H)-one
CID 4917731
8-Methyl-2-[(Pyrimidin-2-Ylsulfanyl)methyl]quinazolin-4(1h)-One
CID 135566723
7-methyl-2-[3-(trifluoromethyl)anilino]-7,8-dihydro-6H-quinazolin-5-one
CID 665345
7-methyl-2-[(3-methylphenyl)amino]-7,8-dihydroquinazolin-5(6H)-one
CID 665688
2-(4-ethylanilino)-7-methyl-7,8-dihydro-6H-quinazolin-5-one
CID 2986465
N-(7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinazolin-2-yl)-2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetamide
CID 666596
4-[(7,7-Dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)amino]benzenesulfonamide
CID 145957236
4-methyl-N-(2-methylphenyl)-2-(methylthio)pyrimidine-5-carboxamide
CID 20913554
N-(2,5-Dimethylphenyl)-4-methyl-2-(methylsulfanyl)pyrimidine-5-carboxamide
CID 20913556
N-(7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinazolin-2-yl)-3-phenylpropanamide
CID 683031
7,7-Dimethyl-2-(4-methylanilino)-6,8-dihydroquinazolin-5-one
CID 944643

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-2-[(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)sulfanyl]acetamide?
The IUPAC name of N-(2,4-difluorophenyl)-2-[(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)sulfanyl]acetamide (CID 619352) is N-(2,4-difluorophenyl)-2-[(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-2-[(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-(2,4-difluorophenyl)-2-[(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)sulfanyl]acetamide is CC1(C)CC(=O)c2cnc(SCC(=O)Nc3ccc(F)cc3F)nc2C1.
What is the InChIKey of N-(2,4-difluorophenyl)-2-[(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)sulfanyl]acetamide?
The InChIKey is QOAPRCBDPOYLES-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2N3O2S/c1-18(2)6-14-11(15(24)7-18)8-21-17(23-14)26-9-16(25)22-13-4-3-10(19)5-12(13)20/h3-5,8H,6-7,9H2,1-2H3,(H,22,25).
What are the key properties of N-(2,4-difluorophenyl)-2-[(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)sulfanyl]acetamide?
N-(2,4-difluorophenyl)-2-[(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)sulfanyl]acetamide has a molecular weight of 377.42 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-2-[(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 619352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).