2-(1H-indol-3-yl)-7,8-dihydro-6H-quinolin-5-one

C17H14N2O — CID 13088239

IUPAC2-(1H-indol-3-yl)-7,8-dihydro-6H-quinolin-5-one
SMILESO=C1CCCc2nc(-c3c[nH]c4ccccc34)ccc21
InChIInChI=1S/C17H14N2O/c20-17-7-3-6-15-12(17)8-9-16(19-15)13-10-18-14-5-2-1-4-11(13)14/h1-2,4-5,8-10,18H,3,6-7H2
InChIKeyHBQAXIHBNORJBP-UHFFFAOYSA-N
MW262.31 g/mol
LogP3.75
Rot. Bonds1

About 2-(1H-indol-3-yl)-7,8-dihydro-6H-quinolin-5-one

2-(1H-indol-3-yl)-7,8-dihydro-6H-quinolin-5-one (PubChem CID 13088239) has the molecular formula C17H14N2O and a molecular weight of 262.31 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-7,8-dihydro-6H-quinolin-5-one.

Molecular Properties

Compound Name2-(1H-indol-3-yl)-7,8-dihydro-6H-quinolin-5-one
PubChem CID13088239
Molecular FormulaC17H14N2O
Molecular Weight262.31 g/mol
Exact Mass262.11
IUPAC Name2-(1H-indol-3-yl)-7,8-dihydro-6H-quinolin-5-one
SMILESO=C1CCCc2nc(-c3c[nH]c4ccccc34)ccc21
InChIInChI=1S/C17H14N2O/c20-17-7-3-6-15-12(17)8-9-16(19-15)13-10-18-14-5-2-1-4-11(13)14/h1-2,4-5,8-10,18H,3,6-7H2
InChIKeyHBQAXIHBNORJBP-UHFFFAOYSA-N
XLogP3.75
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)-7,8-dihydro-6H-quinolin-5-one?
The IUPAC name of 2-(1H-indol-3-yl)-7,8-dihydro-6H-quinolin-5-one (CID 13088239) is 2-(1H-indol-3-yl)-7,8-dihydro-6H-quinolin-5-one.
What is the SMILES notation for 2-(1H-indol-3-yl)-7,8-dihydro-6H-quinolin-5-one?
The canonical SMILES for 2-(1H-indol-3-yl)-7,8-dihydro-6H-quinolin-5-one is O=C1CCCc2nc(-c3c[nH]c4ccccc34)ccc21.
What is the InChIKey of 2-(1H-indol-3-yl)-7,8-dihydro-6H-quinolin-5-one?
The InChIKey is HBQAXIHBNORJBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O/c20-17-7-3-6-15-12(17)8-9-16(19-15)13-10-18-14-5-2-1-4-11(13)14/h1-2,4-5,8-10,18H,3,6-7H2.
What are the key properties of 2-(1H-indol-3-yl)-7,8-dihydro-6H-quinolin-5-one?
2-(1H-indol-3-yl)-7,8-dihydro-6H-quinolin-5-one has a molecular weight of 262.31 g/mol, XLogP of 3.75, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)-7,8-dihydro-6H-quinolin-5-one is sourced from PubChem (CID 13088239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).