2-ethyl-1H-azepine;1H-quinolin-2-one

C17H18N2O — CID 174887038

IUPAC2-ethyl-1H-azepine;1H-quinolin-2-one
SMILESCCC1=CC=CC=CN1.O=c1ccc2ccccc2[nH]1
InChIInChI=1S/C9H7NO.C8H11N/c11-9-6-5-7-3-1-2-4-8(7)10-9;1-2-8-6-4-3-5-7-9-8/h1-6H,(H,10,11);3-7,9H,2H2,1H3
InChIKeyHQWFEDVGLDLUDH-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.48
Rot. Bonds1

About 2-ethyl-1H-azepine;1H-quinolin-2-one

2-ethyl-1H-azepine;1H-quinolin-2-one (PubChem CID 174887038) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-ethyl-1H-azepine;1H-quinolin-2-one.

Molecular Properties

Compound Name2-ethyl-1H-azepine;1H-quinolin-2-one
PubChem CID174887038
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name2-ethyl-1H-azepine;1H-quinolin-2-one
SMILESCCC1=CC=CC=CN1.O=c1ccc2ccccc2[nH]1
InChIInChI=1S/C9H7NO.C8H11N/c11-9-6-5-7-3-1-2-4-8(7)10-9;1-2-8-6-4-3-5-7-9-8/h1-6H,(H,10,11);3-7,9H,2H2,1H3
InChIKeyHQWFEDVGLDLUDH-UHFFFAOYSA-N
XLogP3.48
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

molecular hydrogen;propane;1H-quinolin-2-one
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acetic acid;1H-quinolin-2-one
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1-chloropentane;1H-quinolin-2-one
CID 174326674
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CID 176531100
bicyclo[4.1.0]hepta-1,3,5-triene;1H-quinolin-2-one
CID 67171100
ethyl 2-oxo-1H-quinoline-7-carboxylate
CID 15091487
2-[4-(dicyanomethylidene)cyclohexa-2,5-dien-1-ylidene]propanedinitrile;bis(1H-quinolin-2-one)
CID 139146174
1H-benzo[g]quinolin-2-one
CID 19597016

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1H-azepine;1H-quinolin-2-one?
The IUPAC name of 2-ethyl-1H-azepine;1H-quinolin-2-one (CID 174887038) is 2-ethyl-1H-azepine;1H-quinolin-2-one.
What is the SMILES notation for 2-ethyl-1H-azepine;1H-quinolin-2-one?
The canonical SMILES for 2-ethyl-1H-azepine;1H-quinolin-2-one is CCC1=CC=CC=CN1.O=c1ccc2ccccc2[nH]1.
What is the InChIKey of 2-ethyl-1H-azepine;1H-quinolin-2-one?
The InChIKey is HQWFEDVGLDLUDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO.C8H11N/c11-9-6-5-7-3-1-2-4-8(7)10-9;1-2-8-6-4-3-5-7-9-8/h1-6H,(H,10,11);3-7,9H,2H2,1H3.
What are the key properties of 2-ethyl-1H-azepine;1H-quinolin-2-one?
2-ethyl-1H-azepine;1H-quinolin-2-one has a molecular weight of 266.34 g/mol, XLogP of 3.48, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1H-azepine;1H-quinolin-2-one is sourced from PubChem (CID 174887038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).