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

C19H18FN3O2S — CID 3237219

IUPACN-[2-[2-[(2-fluorophenyl)methylsulfanyl]-4-oxoquinazolin-3-yl]ethyl]acetamide
SMILESCC(=O)NCCn1c(SCc2ccccc2F)nc2ccccc2c1=O
InChIInChI=1S/C19H18FN3O2S/c1-13(24)21-10-11-23-18(25)15-7-3-5-9-17(15)22-19(23)26-12-14-6-2-4-8-16(14)20/h2-9H,10-12H2,1H3,(H,21,24)
InChIKeyNVUDDGLAQXHHTE-UHFFFAOYSA-N
MW371.44 g/mol
LogP2.96
Rot. Bonds6

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

N-[2-[2-[(2-fluorophenyl)methylsulfanyl]-4-oxoquinazolin-3-yl]ethyl]acetamide (PubChem CID 3237219) has the molecular formula C19H18FN3O2S and a molecular weight of 371.44 g/mol. Its IUPAC name is N-[2-[2-[(2-fluorophenyl)methylsulfanyl]-4-oxoquinazolin-3-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[2-[(2-fluorophenyl)methylsulfanyl]-4-oxoquinazolin-3-yl]ethyl]acetamide
PubChem CID3237219
Molecular FormulaC19H18FN3O2S
Molecular Weight371.44 g/mol
Exact Mass371.11
IUPAC NameN-[2-[2-[(2-fluorophenyl)methylsulfanyl]-4-oxoquinazolin-3-yl]ethyl]acetamide
SMILESCC(=O)NCCn1c(SCc2ccccc2F)nc2ccccc2c1=O
InChIInChI=1S/C19H18FN3O2S/c1-13(24)21-10-11-23-18(25)15-7-3-5-9-17(15)22-19(23)26-12-14-6-2-4-8-16(14)20/h2-9H,10-12H2,1H3,(H,21,24)
InChIKeyNVUDDGLAQXHHTE-UHFFFAOYSA-N
XLogP2.96
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[(2-fluorophenyl)methylsulfanyl]-4-oxoquinazolin-3-yl]ethyl]acetamide?
The IUPAC name of N-[2-[2-[(2-fluorophenyl)methylsulfanyl]-4-oxoquinazolin-3-yl]ethyl]acetamide (CID 3237219) is N-[2-[2-[(2-fluorophenyl)methylsulfanyl]-4-oxoquinazolin-3-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[2-[(2-fluorophenyl)methylsulfanyl]-4-oxoquinazolin-3-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[2-[(2-fluorophenyl)methylsulfanyl]-4-oxoquinazolin-3-yl]ethyl]acetamide is CC(=O)NCCn1c(SCc2ccccc2F)nc2ccccc2c1=O.
What is the InChIKey of N-[2-[2-[(2-fluorophenyl)methylsulfanyl]-4-oxoquinazolin-3-yl]ethyl]acetamide?
The InChIKey is NVUDDGLAQXHHTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O2S/c1-13(24)21-10-11-23-18(25)15-7-3-5-9-17(15)22-19(23)26-12-14-6-2-4-8-16(14)20/h2-9H,10-12H2,1H3,(H,21,24).
What are the key properties of N-[2-[2-[(2-fluorophenyl)methylsulfanyl]-4-oxoquinazolin-3-yl]ethyl]acetamide?
N-[2-[2-[(2-fluorophenyl)methylsulfanyl]-4-oxoquinazolin-3-yl]ethyl]acetamide has a molecular weight of 371.44 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[(2-fluorophenyl)methylsulfanyl]-4-oxoquinazolin-3-yl]ethyl]acetamide is sourced from PubChem (CID 3237219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).