2-(7-fluoro-1-oxo-3,10-dihydro-2H-azepino[3,4-b]indol-5-yl)-N-propylacetamide

C17H18FN3O2 — CID 11232300

IUPAC2-(7-fluoro-1-oxo-3,10-dihydro-2H-azepino[3,4-b]indol-5-yl)-N-propylacetamide
SMILESCCCNC(=O)CC1=CCNC(=O)c2[nH]c3ccc(F)cc3c21
InChIInChI=1S/C17H18FN3O2/c1-2-6-19-14(22)8-10-5-7-20-17(23)16-15(10)12-9-11(18)3-4-13(12)21-16/h3-5,9,21H,2,6-8H2,1H3,(H,19,22)(H,20,23)
InChIKeyIYPVHEFRZIBMDK-UHFFFAOYSA-N
MW315.35 g/mol
LogP2.35
Rot. Bonds4

About 2-(7-fluoro-1-oxo-3,10-dihydro-2H-azepino[3,4-b]indol-5-yl)-N-propylacetamide

2-(7-fluoro-1-oxo-3,10-dihydro-2H-azepino[3,4-b]indol-5-yl)-N-propylacetamide (PubChem CID 11232300) has the molecular formula C17H18FN3O2 and a molecular weight of 315.35 g/mol. Its IUPAC name is 2-(7-fluoro-1-oxo-3,10-dihydro-2H-azepino[3,4-b]indol-5-yl)-N-propylacetamide.

Molecular Properties

Compound Name2-(7-fluoro-1-oxo-3,10-dihydro-2H-azepino[3,4-b]indol-5-yl)-N-propylacetamide
PubChem CID11232300
Molecular FormulaC17H18FN3O2
Molecular Weight315.35 g/mol
Exact Mass315.14
IUPAC Name2-(7-fluoro-1-oxo-3,10-dihydro-2H-azepino[3,4-b]indol-5-yl)-N-propylacetamide
SMILESCCCNC(=O)CC1=CCNC(=O)c2[nH]c3ccc(F)cc3c21
InChIInChI=1S/C17H18FN3O2/c1-2-6-19-14(22)8-10-5-7-20-17(23)16-15(10)12-9-11(18)3-4-13(12)21-16/h3-5,9,21H,2,6-8H2,1H3,(H,19,22)(H,20,23)
InChIKeyIYPVHEFRZIBMDK-UHFFFAOYSA-N
XLogP2.35
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(7-fluoro-1-oxo-3,10-dihydro-2H-azepino[3,4-b]indol-5-yl)-N-propylacetamide?
The IUPAC name of 2-(7-fluoro-1-oxo-3,10-dihydro-2H-azepino[3,4-b]indol-5-yl)-N-propylacetamide (CID 11232300) is 2-(7-fluoro-1-oxo-3,10-dihydro-2H-azepino[3,4-b]indol-5-yl)-N-propylacetamide.
What is the SMILES notation for 2-(7-fluoro-1-oxo-3,10-dihydro-2H-azepino[3,4-b]indol-5-yl)-N-propylacetamide?
The canonical SMILES for 2-(7-fluoro-1-oxo-3,10-dihydro-2H-azepino[3,4-b]indol-5-yl)-N-propylacetamide is CCCNC(=O)CC1=CCNC(=O)c2[nH]c3ccc(F)cc3c21.
What is the InChIKey of 2-(7-fluoro-1-oxo-3,10-dihydro-2H-azepino[3,4-b]indol-5-yl)-N-propylacetamide?
The InChIKey is IYPVHEFRZIBMDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O2/c1-2-6-19-14(22)8-10-5-7-20-17(23)16-15(10)12-9-11(18)3-4-13(12)21-16/h3-5,9,21H,2,6-8H2,1H3,(H,19,22)(H,20,23).
What are the key properties of 2-(7-fluoro-1-oxo-3,10-dihydro-2H-azepino[3,4-b]indol-5-yl)-N-propylacetamide?
2-(7-fluoro-1-oxo-3,10-dihydro-2H-azepino[3,4-b]indol-5-yl)-N-propylacetamide has a molecular weight of 315.35 g/mol, XLogP of 2.35, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-fluoro-1-oxo-3,10-dihydro-2H-azepino[3,4-b]indol-5-yl)-N-propylacetamide is sourced from PubChem (CID 11232300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).