6-[2-(azetidin-3-ylmethylamino)ethyl]-3,4-dihydro-1H-quinolin-2-one

C15H21N3O — CID 115207782

IUPAC6-[2-(azetidin-3-ylmethylamino)ethyl]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(CCNCC3CNC3)ccc2N1
InChIInChI=1S/C15H21N3O/c19-15-4-2-13-7-11(1-3-14(13)18-15)5-6-16-8-12-9-17-10-12/h1,3,7,12,16-17H,2,4-6,8-10H2,(H,18,19)
InChIKeyWWDFCPOQCGBUPL-UHFFFAOYSA-N
MW259.35 g/mol
LogP0.92
Rot. Bonds5

About 6-[2-(azetidin-3-ylmethylamino)ethyl]-3,4-dihydro-1H-quinolin-2-one

6-[2-(azetidin-3-ylmethylamino)ethyl]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 115207782) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 6-[2-(azetidin-3-ylmethylamino)ethyl]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[2-(azetidin-3-ylmethylamino)ethyl]-3,4-dihydro-1H-quinolin-2-one
PubChem CID115207782
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name6-[2-(azetidin-3-ylmethylamino)ethyl]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(CCNCC3CNC3)ccc2N1
InChIInChI=1S/C15H21N3O/c19-15-4-2-13-7-11(1-3-14(13)18-15)5-6-16-8-12-9-17-10-12/h1,3,7,12,16-17H,2,4-6,8-10H2,(H,18,19)
InChIKeyWWDFCPOQCGBUPL-UHFFFAOYSA-N
XLogP0.92
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[2-(azetidin-3-ylmethylamino)ethyl]-1,3-dihydroindol-2-one
CID 115207779
6-[2-(4-hydroxybutylamino)ethyl]-3,4-dihydro-1H-quinolin-2-one
CID 115217775
N-[2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]cyclopropanecarboxamide
CID 110788608
6-[2-(methylamino)ethyl]-3,4-dihydro-1H-quinolin-2-one
CID 82282846
6-[2-(3-chloropropylamino)ethyl]-3,4-dihydro-1H-quinolin-2-one
CID 115215832
2-oxo-N-[2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]propanamide
CID 115175903
6-[2-(azetidin-3-ylmethylamino)ethyl]-4H-1,4-benzoxazin-3-one
CID 115207809
6-[2-[(2-amino-3-hydroxypropyl)amino]ethyl]-3,4-dihydro-1H-quinolin-2-one
CID 115120823
3-amino-N-[2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]propanamide
CID 115152989
6-(2-piperidin-4-ylethyl)-3,4-dihydro-1H-quinolin-2-one
CID 116925681
6-(2-sulfanylethyl)-3,4-dihydro-1H-quinolin-2-one
CID 82283516
6-(2-bromoethyl)-3,4-dihydro-1H-quinolin-2-one
CID 18382037

Frequently Asked Questions

What is the IUPAC name of 6-[2-(azetidin-3-ylmethylamino)ethyl]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[2-(azetidin-3-ylmethylamino)ethyl]-3,4-dihydro-1H-quinolin-2-one (CID 115207782) is 6-[2-(azetidin-3-ylmethylamino)ethyl]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[2-(azetidin-3-ylmethylamino)ethyl]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[2-(azetidin-3-ylmethylamino)ethyl]-3,4-dihydro-1H-quinolin-2-one is O=C1CCc2cc(CCNCC3CNC3)ccc2N1.
What is the InChIKey of 6-[2-(azetidin-3-ylmethylamino)ethyl]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is WWDFCPOQCGBUPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c19-15-4-2-13-7-11(1-3-14(13)18-15)5-6-16-8-12-9-17-10-12/h1,3,7,12,16-17H,2,4-6,8-10H2,(H,18,19).
What are the key properties of 6-[2-(azetidin-3-ylmethylamino)ethyl]-3,4-dihydro-1H-quinolin-2-one?
6-[2-(azetidin-3-ylmethylamino)ethyl]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 259.35 g/mol, XLogP of 0.92, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(azetidin-3-ylmethylamino)ethyl]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 115207782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).