6-amino-7-(azocan-1-yl)-3,4-dihydro-1H-quinolin-2-one

C16H23N3O — CID 43455503

IUPAC6-amino-7-(azocan-1-yl)-3,4-dihydro-1H-quinolin-2-one
SMILESNc1cc2c(cc1N1CCCCCCC1)NC(=O)CC2
InChIInChI=1S/C16H23N3O/c17-13-10-12-6-7-16(20)18-14(12)11-15(13)19-8-4-2-1-3-5-9-19/h10-11H,1-9,17H2,(H,18,20)
InChIKeyUJKLWDCMLYUKOJ-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.92
Rot. Bonds1

About 6-amino-7-(azocan-1-yl)-3,4-dihydro-1H-quinolin-2-one

6-amino-7-(azocan-1-yl)-3,4-dihydro-1H-quinolin-2-one (PubChem CID 43455503) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 6-amino-7-(azocan-1-yl)-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-amino-7-(azocan-1-yl)-3,4-dihydro-1H-quinolin-2-one
PubChem CID43455503
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name6-amino-7-(azocan-1-yl)-3,4-dihydro-1H-quinolin-2-one
SMILESNc1cc2c(cc1N1CCCCCCC1)NC(=O)CC2
InChIInChI=1S/C16H23N3O/c17-13-10-12-6-7-16(20)18-14(12)11-15(13)19-8-4-2-1-3-5-9-19/h10-11H,1-9,17H2,(H,18,20)
InChIKeyUJKLWDCMLYUKOJ-UHFFFAOYSA-N
XLogP2.92
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-amino-6-(4,4-dimethylpiperidin-1-yl)-3,4-dihydro-1H-quinolin-2-one
CID 62936875
6-amino-7-(3-hydroxy-4-methylpiperidin-1-yl)-3,4-dihydro-1H-quinolin-2-one
CID 102955536
6-amino-7-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-3,4-dihydro-1H-quinolin-2-one
CID 115964853
6-amino-7-bromo-3,4-dihydro-1H-quinolin-2-one
CID 117209588
1-(7-amino-2-oxo-3,4-dihydro-1H-quinolin-6-yl)pyrrolidine-2-carboxamide
CID 43449758
7-amino-6-(2-methylmorpholin-4-yl)-3,4-dihydro-1H-quinolin-2-one
CID 43449729
6-amino-7-(morpholin-4-ylamino)-3,4-dihydro-1H-quinolin-2-one
CID 83004965
5-amino-6-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-1,3-dihydroindol-2-one
CID 63150926
5-amino-6-(3-ethylpiperidin-1-yl)-1,3-dihydroindol-2-one
CID 43584179
5-amino-6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1,3-dihydroindol-2-one
CID 79918799
7-amino-6-(3,4,5-trimethylpyrazol-1-yl)-3,4-dihydro-1H-quinolin-2-one
CID 61225923
6-amino-7-(1-methylpiperidin-4-yl)oxy-3,4-dihydro-1H-quinolin-2-one
CID 61283217

Frequently Asked Questions

What is the IUPAC name of 6-amino-7-(azocan-1-yl)-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-amino-7-(azocan-1-yl)-3,4-dihydro-1H-quinolin-2-one (CID 43455503) is 6-amino-7-(azocan-1-yl)-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-amino-7-(azocan-1-yl)-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-amino-7-(azocan-1-yl)-3,4-dihydro-1H-quinolin-2-one is Nc1cc2c(cc1N1CCCCCCC1)NC(=O)CC2.
What is the InChIKey of 6-amino-7-(azocan-1-yl)-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is UJKLWDCMLYUKOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c17-13-10-12-6-7-16(20)18-14(12)11-15(13)19-8-4-2-1-3-5-9-19/h10-11H,1-9,17H2,(H,18,20).
What are the key properties of 6-amino-7-(azocan-1-yl)-3,4-dihydro-1H-quinolin-2-one?
6-amino-7-(azocan-1-yl)-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 273.38 g/mol, XLogP of 2.92, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-7-(azocan-1-yl)-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 43455503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).