6-[2-(azetidin-3-yl)-1H-imidazol-5-yl]-3,4-dihydro-1H-quinolin-2-one

C15H16N4O — CID 116877449

IUPAC6-[2-(azetidin-3-yl)-1H-imidazol-5-yl]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(-c3cnc(C4CNC4)[nH]3)ccc2N1
InChIInChI=1S/C15H16N4O/c20-14-4-2-9-5-10(1-3-12(9)18-14)13-8-17-15(19-13)11-6-16-7-11/h1,3,5,8,11,16H,2,4,6-7H2,(H,17,19)(H,18,20)
InChIKeyLNRGRQDOGHHBIA-UHFFFAOYSA-N
MW268.32 g/mol
LogP1.65
Rot. Bonds2

About 6-[2-(azetidin-3-yl)-1H-imidazol-5-yl]-3,4-dihydro-1H-quinolin-2-one

6-[2-(azetidin-3-yl)-1H-imidazol-5-yl]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 116877449) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is 6-[2-(azetidin-3-yl)-1H-imidazol-5-yl]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[2-(azetidin-3-yl)-1H-imidazol-5-yl]-3,4-dihydro-1H-quinolin-2-one
PubChem CID116877449
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name6-[2-(azetidin-3-yl)-1H-imidazol-5-yl]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(-c3cnc(C4CNC4)[nH]3)ccc2N1
InChIInChI=1S/C15H16N4O/c20-14-4-2-9-5-10(1-3-12(9)18-14)13-8-17-15(19-13)11-6-16-7-11/h1,3,5,8,11,16H,2,4,6-7H2,(H,17,19)(H,18,20)
InChIKeyLNRGRQDOGHHBIA-UHFFFAOYSA-N
XLogP1.65
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(azetidin-3-yl)-1H-imidazol-5-yl]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[2-(azetidin-3-yl)-1H-imidazol-5-yl]-3,4-dihydro-1H-quinolin-2-one (CID 116877449) is 6-[2-(azetidin-3-yl)-1H-imidazol-5-yl]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[2-(azetidin-3-yl)-1H-imidazol-5-yl]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[2-(azetidin-3-yl)-1H-imidazol-5-yl]-3,4-dihydro-1H-quinolin-2-one is O=C1CCc2cc(-c3cnc(C4CNC4)[nH]3)ccc2N1.
What is the InChIKey of 6-[2-(azetidin-3-yl)-1H-imidazol-5-yl]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is LNRGRQDOGHHBIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c20-14-4-2-9-5-10(1-3-12(9)18-14)13-8-17-15(19-13)11-6-16-7-11/h1,3,5,8,11,16H,2,4,6-7H2,(H,17,19)(H,18,20).
What are the key properties of 6-[2-(azetidin-3-yl)-1H-imidazol-5-yl]-3,4-dihydro-1H-quinolin-2-one?
6-[2-(azetidin-3-yl)-1H-imidazol-5-yl]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 268.32 g/mol, XLogP of 1.65, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(azetidin-3-yl)-1H-imidazol-5-yl]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 116877449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).