N-(2-fluorophenyl)-2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylacetamide

C19H16FN3O2S — CID 1076183

IUPACN-(2-fluorophenyl)-2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylacetamide
SMILESC=CCn1c(SCC(=O)Nc2ccccc2F)nc2ccccc2c1=O
InChIInChI=1S/C19H16FN3O2S/c1-2-11-23-18(25)13-7-3-5-9-15(13)22-19(23)26-12-17(24)21-16-10-6-4-8-14(16)20/h2-10H,1,11-12H2,(H,21,24)
InChIKeyPLQRLQODKDWBBK-UHFFFAOYSA-N
MW369.42 g/mol
LogP3.45
Rot. Bonds6

About N-(2-fluorophenyl)-2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylacetamide

N-(2-fluorophenyl)-2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylacetamide (PubChem CID 1076183) has the molecular formula C19H16FN3O2S and a molecular weight of 369.42 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylacetamide
PubChem CID1076183
Molecular FormulaC19H16FN3O2S
Molecular Weight369.42 g/mol
Exact Mass369.09
IUPAC NameN-(2-fluorophenyl)-2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylacetamide
SMILESC=CCn1c(SCC(=O)Nc2ccccc2F)nc2ccccc2c1=O
InChIInChI=1S/C19H16FN3O2S/c1-2-11-23-18(25)13-7-3-5-9-15(13)22-19(23)26-12-17(24)21-16-10-6-4-8-14(16)20/h2-10H,1,11-12H2,(H,21,24)
InChIKeyPLQRLQODKDWBBK-UHFFFAOYSA-N
XLogP3.45
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-phenyl-3H-quinazolin-4-one
CID 785275
3-(2,6-difluorophenyl)-2-(methylthio)quinazolin-4(3H)-one
CID 25229546
2-{(E)-2-[4-(dimethylamino)phenyl]ethenyl}quinazolin-4(3H)-one
CID 135446758
2-((2-piperidin-1-ylethyl)thio)quinazolin-4(3H)-one
CID 135520446
3(4H)-Quinazolineacetamide, 4-oxo-N-phenyl-
CID 742756
2-Benzylsulfanyl-3-phenylquinazolin-4-one
CID 806148
Bis-quinazolinone 5
CID 145996538
Ethyl 2-[3-(cyclohexylmethyl)-4-oxoquinazolin-2-yl]sulfanylpropanoate
CID 2959700
N-cyclohexyl-2-[(4-oxo-1H-quinazolin-2-yl)sulfanyl]acetamide
CID 135408823
N-(2,3-dihydro-1H-inden-5-yl)-2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetamide
CID 2557019
3-(2-fluorophenyl)quinazolin-4(3H)-one
CID 613587
N-[2-(azepane-1-carbonyl)phenyl]-4-fluorobenzamide
CID 579553

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylacetamide?
The IUPAC name of N-(2-fluorophenyl)-2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylacetamide (CID 1076183) is N-(2-fluorophenyl)-2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(2-fluorophenyl)-2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylacetamide?
The canonical SMILES for N-(2-fluorophenyl)-2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylacetamide is C=CCn1c(SCC(=O)Nc2ccccc2F)nc2ccccc2c1=O.
What is the InChIKey of N-(2-fluorophenyl)-2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylacetamide?
The InChIKey is PLQRLQODKDWBBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O2S/c1-2-11-23-18(25)13-7-3-5-9-15(13)22-19(23)26-12-17(24)21-16-10-6-4-8-14(16)20/h2-10H,1,11-12H2,(H,21,24).
What are the key properties of N-(2-fluorophenyl)-2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylacetamide?
N-(2-fluorophenyl)-2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylacetamide has a molecular weight of 369.42 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylacetamide is sourced from PubChem (CID 1076183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).