2-(7-fluoro-4-oxoquinazolin-3-yl)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]acetamide

C19H17F2N3O2S — CID 17411760

IUPAC2-(7-fluoro-4-oxoquinazolin-3-yl)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]acetamide
SMILESO=C(Cn1cnc2cc(F)ccc2c1=O)NCCSCc1ccccc1F
InChIInChI=1S/C19H17F2N3O2S/c20-14-5-6-15-17(9-14)23-12-24(19(15)26)10-18(25)22-7-8-27-11-13-3-1-2-4-16(13)21/h1-6,9,12H,7-8,10-11H2,(H,22,25)
InChIKeyQTSKHIMJYRPSHO-UHFFFAOYSA-N
MW389.43 g/mol
LogP2.72
Rot. Bonds7

About 2-(7-fluoro-4-oxoquinazolin-3-yl)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]acetamide

2-(7-fluoro-4-oxoquinazolin-3-yl)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]acetamide (PubChem CID 17411760) has the molecular formula C19H17F2N3O2S and a molecular weight of 389.43 g/mol. Its IUPAC name is 2-(7-fluoro-4-oxoquinazolin-3-yl)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]acetamide.

Molecular Properties

Compound Name2-(7-fluoro-4-oxoquinazolin-3-yl)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]acetamide
PubChem CID17411760
Molecular FormulaC19H17F2N3O2S
Molecular Weight389.43 g/mol
Exact Mass389.10
IUPAC Name2-(7-fluoro-4-oxoquinazolin-3-yl)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]acetamide
SMILESO=C(Cn1cnc2cc(F)ccc2c1=O)NCCSCc1ccccc1F
InChIInChI=1S/C19H17F2N3O2S/c20-14-5-6-15-17(9-14)23-12-24(19(15)26)10-18(25)22-7-8-27-11-13-3-1-2-4-16(13)21/h1-6,9,12H,7-8,10-11H2,(H,22,25)
InChIKeyQTSKHIMJYRPSHO-UHFFFAOYSA-N
XLogP2.72
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-ethylphenyl)-2-[[2-(7-fluoro-4-oxoquinazolin-3-yl)acetyl]amino]acetamide
CID 40750672
2-(7-fluoro-4-oxoquinazolin-3-yl)-N-(3-propan-2-yloxypropyl)acetamide
CID 24520750
N-[3-[(2-fluorophenyl)methylsulfanyl]propyl]-3-methyl-4-oxoquinazoline-7-carboxamide
CID 77095802
2-(2,4-dioxopyrimidin-1-yl)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]acetamide
CID 9490208
7-fluoro-3-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]quinazolin-4-one
CID 17419301
2,4-difluoro-N-[2-[2-[(2-fluorophenyl)methylsulfanyl]ethylamino]-2-oxoethyl]benzamide
CID 46690552
2-(7-fluoro-4-oxoquinazolin-3-yl)-N-(4-methylphenyl)acetamide
CID 40743532
3-[(2,3-difluorophenyl)methyl]-7-fluoroquinazolin-4-one
CID 24524274
N-(2-fluorophenyl)-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]propanamide
CID 15994100
N-[[4-(ethoxymethyl)phenyl]methyl]-2-(7-fluoro-4-oxoquinazolin-3-yl)acetamide
CID 167848621
2-(6-fluoro-4-oxoquinazolin-3-yl)-N-pentylacetamide
CID 46585809
N-(2,3-dimethylphenyl)-2-(7-fluoro-4-oxoquinazolin-3-yl)acetamide
CID 40743513

Frequently Asked Questions

What is the IUPAC name of 2-(7-fluoro-4-oxoquinazolin-3-yl)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]acetamide?
The IUPAC name of 2-(7-fluoro-4-oxoquinazolin-3-yl)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]acetamide (CID 17411760) is 2-(7-fluoro-4-oxoquinazolin-3-yl)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]acetamide.
What is the SMILES notation for 2-(7-fluoro-4-oxoquinazolin-3-yl)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]acetamide?
The canonical SMILES for 2-(7-fluoro-4-oxoquinazolin-3-yl)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]acetamide is O=C(Cn1cnc2cc(F)ccc2c1=O)NCCSCc1ccccc1F.
What is the InChIKey of 2-(7-fluoro-4-oxoquinazolin-3-yl)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]acetamide?
The InChIKey is QTSKHIMJYRPSHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2N3O2S/c20-14-5-6-15-17(9-14)23-12-24(19(15)26)10-18(25)22-7-8-27-11-13-3-1-2-4-16(13)21/h1-6,9,12H,7-8,10-11H2,(H,22,25).
What are the key properties of 2-(7-fluoro-4-oxoquinazolin-3-yl)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]acetamide?
2-(7-fluoro-4-oxoquinazolin-3-yl)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]acetamide has a molecular weight of 389.43 g/mol, XLogP of 2.72, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-fluoro-4-oxoquinazolin-3-yl)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]acetamide is sourced from PubChem (CID 17411760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).