2-(8-fluoro-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)-N-(2-phenylethyl)acetamide

C20H17FN4O2 — CID 53028070

IUPAC2-(8-fluoro-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)-N-(2-phenylethyl)acetamide
SMILESO=C(Cn1cnc2c([nH]c3ccc(F)cc32)c1=O)NCCc1ccccc1
InChIInChI=1S/C20H17FN4O2/c21-14-6-7-16-15(10-14)18-19(24-16)20(27)25(12-23-18)11-17(26)22-9-8-13-4-2-1-3-5-13/h1-7,10,12,24H,8-9,11H2,(H,22,26)
InChIKeyOXWQMAKISSPOQH-UHFFFAOYSA-N
MW364.38 g/mol
LogP2.38
Rot. Bonds5

About 2-(8-fluoro-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)-N-(2-phenylethyl)acetamide

2-(8-fluoro-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)-N-(2-phenylethyl)acetamide (PubChem CID 53028070) has the molecular formula C20H17FN4O2 and a molecular weight of 364.38 g/mol. Its IUPAC name is 2-(8-fluoro-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-(8-fluoro-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)-N-(2-phenylethyl)acetamide
PubChem CID53028070
Molecular FormulaC20H17FN4O2
Molecular Weight364.38 g/mol
Exact Mass364.13
IUPAC Name2-(8-fluoro-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)-N-(2-phenylethyl)acetamide
SMILESO=C(Cn1cnc2c([nH]c3ccc(F)cc32)c1=O)NCCc1ccccc1
InChIInChI=1S/C20H17FN4O2/c21-14-6-7-16-15(10-14)18-19(24-16)20(27)25(12-23-18)11-17(26)22-9-8-13-4-2-1-3-5-13/h1-7,10,12,24H,8-9,11H2,(H,22,26)
InChIKeyOXWQMAKISSPOQH-UHFFFAOYSA-N
XLogP2.38
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.38
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-oxo-5H-pyrimido[5,4-b]indol-3-yl)-N-(3-phenylpropyl)acetamide
CID 18525561
2-(8-fluoro-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)-N-(2-methylpropyl)acetamide
CID 53028087
3-(8-fluoro-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)-N-propylpropanamide
CID 18525589
2-(8-methyl-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)-N-propylacetamide
CID 53028036
2-(8-fluoro-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)-N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]acetamide
CID 53028084
3-(8-fluoro-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)-N-(2-methoxyethyl)propanamide
CID 18525606
3-(7,8-dimethoxy-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)-N-(2-phenylethyl)propanamide
CID 53028239
2-(8-bromo-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)-N-(2-methoxyethyl)acetamide
CID 18525583
8-fluoro-3-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-5H-pyrimido[5,4-b]indol-4-one
CID 53028091
8-methyl-3-(2-phenylethyl)-5H-pyrimido[5,4-b]indol-4-one
CID 915110
N-[3-(N-ethylanilino)propyl]-2-(4-oxo-5H-pyrimido[5,4-b]indol-3-yl)acetamide
CID 18525555
2-(8-bromo-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 30849331

Frequently Asked Questions

What is the IUPAC name of 2-(8-fluoro-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-(8-fluoro-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)-N-(2-phenylethyl)acetamide (CID 53028070) is 2-(8-fluoro-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-(8-fluoro-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-(8-fluoro-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)-N-(2-phenylethyl)acetamide is O=C(Cn1cnc2c([nH]c3ccc(F)cc32)c1=O)NCCc1ccccc1.
What is the InChIKey of 2-(8-fluoro-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)-N-(2-phenylethyl)acetamide?
The InChIKey is OXWQMAKISSPOQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4O2/c21-14-6-7-16-15(10-14)18-19(24-16)20(27)25(12-23-18)11-17(26)22-9-8-13-4-2-1-3-5-13/h1-7,10,12,24H,8-9,11H2,(H,22,26).
What are the key properties of 2-(8-fluoro-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)-N-(2-phenylethyl)acetamide?
2-(8-fluoro-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)-N-(2-phenylethyl)acetamide has a molecular weight of 364.38 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-fluoro-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 53028070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).