7-(1H-azepin-2-yl)-3-quinolin-4-yl-1,3-dihydroindol-2-one

C23H17N3O — CID 174370642

IUPAC7-(1H-azepin-2-yl)-3-quinolin-4-yl-1,3-dihydroindol-2-one
SMILESO=C1Nc2c(C3=CC=CC=CN3)cccc2C1c1ccnc2ccccc12
InChIInChI=1S/C23H17N3O/c27-23-21(16-12-14-25-19-11-4-3-7-15(16)19)18-9-6-8-17(22(18)26-23)20-10-2-1-5-13-24-20/h1-14,21,24H,(H,26,27)
InChIKeyBULHCEOJLIRQON-UHFFFAOYSA-N
MW351.41 g/mol
LogP4.33
Rot. Bonds2

About 7-(1H-azepin-2-yl)-3-quinolin-4-yl-1,3-dihydroindol-2-one

7-(1H-azepin-2-yl)-3-quinolin-4-yl-1,3-dihydroindol-2-one (PubChem CID 174370642) has the molecular formula C23H17N3O and a molecular weight of 351.41 g/mol. Its IUPAC name is 7-(1H-azepin-2-yl)-3-quinolin-4-yl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name7-(1H-azepin-2-yl)-3-quinolin-4-yl-1,3-dihydroindol-2-one
PubChem CID174370642
Molecular FormulaC23H17N3O
Molecular Weight351.41 g/mol
Exact Mass351.14
IUPAC Name7-(1H-azepin-2-yl)-3-quinolin-4-yl-1,3-dihydroindol-2-one
SMILESO=C1Nc2c(C3=CC=CC=CN3)cccc2C1c1ccnc2ccccc12
InChIInChI=1S/C23H17N3O/c27-23-21(16-12-14-25-19-11-4-3-7-15(16)19)18-9-6-8-17(22(18)26-23)20-10-2-1-5-13-24-20/h1-14,21,24H,(H,26,27)
InChIKeyBULHCEOJLIRQON-UHFFFAOYSA-N
XLogP4.33
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(1H-azepin-2-yl)-3-quinolin-4-yl-1,3-dihydroindol-2-one?
The IUPAC name of 7-(1H-azepin-2-yl)-3-quinolin-4-yl-1,3-dihydroindol-2-one (CID 174370642) is 7-(1H-azepin-2-yl)-3-quinolin-4-yl-1,3-dihydroindol-2-one.
What is the SMILES notation for 7-(1H-azepin-2-yl)-3-quinolin-4-yl-1,3-dihydroindol-2-one?
The canonical SMILES for 7-(1H-azepin-2-yl)-3-quinolin-4-yl-1,3-dihydroindol-2-one is O=C1Nc2c(C3=CC=CC=CN3)cccc2C1c1ccnc2ccccc12.
What is the InChIKey of 7-(1H-azepin-2-yl)-3-quinolin-4-yl-1,3-dihydroindol-2-one?
The InChIKey is BULHCEOJLIRQON-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N3O/c27-23-21(16-12-14-25-19-11-4-3-7-15(16)19)18-9-6-8-17(22(18)26-23)20-10-2-1-5-13-24-20/h1-14,21,24H,(H,26,27).
What are the key properties of 7-(1H-azepin-2-yl)-3-quinolin-4-yl-1,3-dihydroindol-2-one?
7-(1H-azepin-2-yl)-3-quinolin-4-yl-1,3-dihydroindol-2-one has a molecular weight of 351.41 g/mol, XLogP of 4.33, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1H-azepin-2-yl)-3-quinolin-4-yl-1,3-dihydroindol-2-one is sourced from PubChem (CID 174370642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).