2-(7-fluoro-4-oxoquinazolin-3-yl)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide

C18H16FN3O2S — CID 27282781

IUPAC2-(7-fluoro-4-oxoquinazolin-3-yl)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide
SMILESC=CCN(Cc1cccs1)C(=O)Cn1cnc2cc(F)ccc2c1=O
InChIInChI=1S/C18H16FN3O2S/c1-2-7-21(10-14-4-3-8-25-14)17(23)11-22-12-20-16-9-13(19)5-6-15(16)18(22)24/h2-6,8-9,12H,1,7,10-11H2
InChIKeyRLMYPPJDINRFKD-UHFFFAOYSA-N
MW357.41 g/mol
LogP2.81
Rot. Bonds6

About 2-(7-fluoro-4-oxoquinazolin-3-yl)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide

2-(7-fluoro-4-oxoquinazolin-3-yl)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 27282781) has the molecular formula C18H16FN3O2S and a molecular weight of 357.41 g/mol. Its IUPAC name is 2-(7-fluoro-4-oxoquinazolin-3-yl)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(7-fluoro-4-oxoquinazolin-3-yl)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide
PubChem CID27282781
Molecular FormulaC18H16FN3O2S
Molecular Weight357.41 g/mol
Exact Mass357.09
IUPAC Name2-(7-fluoro-4-oxoquinazolin-3-yl)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide
SMILESC=CCN(Cc1cccs1)C(=O)Cn1cnc2cc(F)ccc2c1=O
InChIInChI=1S/C18H16FN3O2S/c1-2-7-21(10-14-4-3-8-25-14)17(23)11-22-12-20-16-9-13(19)5-6-15(16)18(22)24/h2-6,8-9,12H,1,7,10-11H2
InChIKeyRLMYPPJDINRFKD-UHFFFAOYSA-N
XLogP2.81
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

7-fluoro-3-[2-oxo-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethyl]quinazolin-4-one
CID 39005436
N-[(5-bromothiophen-2-yl)methyl]-2-(4-oxothieno[3,2-d]pyrimidin-3-yl)-N-prop-2-enylacetamide
CID 18123522
2-(7-fluoro-4-oxoquinazolin-3-yl)-N-[(1R)-1-thiophen-2-ylethyl]acetamide
CID 40743912
2-(7-fluoro-4-oxoquinazolin-3-yl)-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide
CID 24520776
N-benzyl-2-(7-fluoro-4-oxoquinazolin-3-yl)-N-propan-2-ylacetamide
CID 40743682
2,4-difluoro-N-[3-oxo-3-[prop-2-enyl(thiophen-2-ylmethyl)amino]propyl]benzamide
CID 32769873
2-[(4S)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide
CID 8521709
2-(3-methyl-4-oxoquinazolin-2-yl)sulfanyl-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide
CID 18193542
2-(1-methylidene-3-oxoisoindol-2-yl)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide
CID 86915725
N-[(5-chlorothiophen-2-yl)methyl]-2-[5-(4-fluorophenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-prop-2-enylacetamide
CID 30762223
N-ethyl-2-(4-oxoquinazolin-3-yl)-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]acetamide
CID 9287080
2-(7-fluoro-4-oxoquinazolin-3-yl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 17422564

Frequently Asked Questions

What is the IUPAC name of 2-(7-fluoro-4-oxoquinazolin-3-yl)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-(7-fluoro-4-oxoquinazolin-3-yl)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide (CID 27282781) is 2-(7-fluoro-4-oxoquinazolin-3-yl)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(7-fluoro-4-oxoquinazolin-3-yl)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-(7-fluoro-4-oxoquinazolin-3-yl)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide is C=CCN(Cc1cccs1)C(=O)Cn1cnc2cc(F)ccc2c1=O.
What is the InChIKey of 2-(7-fluoro-4-oxoquinazolin-3-yl)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is RLMYPPJDINRFKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O2S/c1-2-7-21(10-14-4-3-8-25-14)17(23)11-22-12-20-16-9-13(19)5-6-15(16)18(22)24/h2-6,8-9,12H,1,7,10-11H2.
What are the key properties of 2-(7-fluoro-4-oxoquinazolin-3-yl)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide?
2-(7-fluoro-4-oxoquinazolin-3-yl)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 357.41 g/mol, XLogP of 2.81, 6 rotatable bonds, 0 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-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 27282781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).