13-hydroxyimino-3,4,6,7,11b,12-hexahydro-2H-isoquinolino[2,1-a]quinolin-1-one

C17H18N2O2 — CID 3828929

IUPAC13-hydroxyimino-3,4,6,7,11b,12-hexahydro-2H-isoquinolino[2,1-a]quinolin-1-one
SMILESO=C1CCCC2=C1C(=NO)CC1c3ccccc3CCN21
InChIInChI=1S/C17H18N2O2/c20-16-7-3-6-14-17(16)13(18-21)10-15-12-5-2-1-4-11(12)8-9-19(14)15/h1-2,4-5,15,21H,3,6-10H2
InChIKeyDKBIHLNAKPTGKH-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.83
Rot. Bonds

About 13-hydroxyimino-3,4,6,7,11b,12-hexahydro-2H-isoquinolino[2,1-a]quinolin-1-one

13-hydroxyimino-3,4,6,7,11b,12-hexahydro-2H-isoquinolino[2,1-a]quinolin-1-one (PubChem CID 3828929) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 13-hydroxyimino-3,4,6,7,11b,12-hexahydro-2H-isoquinolino[2,1-a]quinolin-1-one.

Molecular Properties

Compound Name13-hydroxyimino-3,4,6,7,11b,12-hexahydro-2H-isoquinolino[2,1-a]quinolin-1-one
PubChem CID3828929
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name13-hydroxyimino-3,4,6,7,11b,12-hexahydro-2H-isoquinolino[2,1-a]quinolin-1-one
SMILESO=C1CCCC2=C1C(=NO)CC1c3ccccc3CCN21
InChIInChI=1S/C17H18N2O2/c20-16-7-3-6-14-17(16)13(18-21)10-15-12-5-2-1-4-11(12)8-9-19(14)15/h1-2,4-5,15,21H,3,6-10H2
InChIKeyDKBIHLNAKPTGKH-UHFFFAOYSA-N
XLogP2.83
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(Z)-[(11bS)-1-oxo-3,4,6,7,11b,12-hexahydro-2H-isoquinolino[2,1-a]quinolin-13-ylidene]amino]urea
CID 6546115
(3S,13E)-13-hydroxyimino-3-methyl-3,4,6,7,11b,12-hexahydro-2H-isoquinolino[2,1-a]quinolin-1-one;hydrochloride
CID 52993234
2,3,4,6,7,11b,12,13-octahydroisoquinolino[2,1-a]quinolin-1-one
CID 23265389
[(Z)-[(11bR)-3,3-dimethyl-1-oxo-2,4,6,7,11b,12-hexahydroisoquinolino[2,1-a]quinolin-13-ylidene]amino]thiourea
CID 7076852
(11bS)-13-hydroxyimino-9,10-dimethoxy-3,3-dimethyl-2,4,6,7,11b,12-hexahydroisoquinolino[2,1-a]quinolin-1-one
CID 171154009
1,2,3,6,7,11b-hexahydrobenzo[a]quinolizin-4-one
CID 13144291
1,6,7,11b-tetrahydrobenzo[a]quinolizine-2,4-dione
CID 3702529
4,4-dimethyl-5-thia-1-azatetracyclo[8.8.0.02,7.011,16]octadeca-2(7),11,13,15-tetraene-6,8-dione
CID 15895735
2,5,6,10b-tetrahydro-1H-pyrrolo[2,1-a]isoquinolin-3-one
CID 4314166
2,6,7,11b-tetrahydro-1H-[1,3]oxazino[4,3-a]isoquinolin-4-one
CID 102418176
(3E,11bR)-3-(dimethylaminomethylidene)-1,6,7,11b-tetrahydrobenzo[a]quinolizine-2,4-dione
CID 1478903
(4S,10R)-4-methyl-5-oxa-1-azatetracyclo[8.8.0.02,7.011,16]octadeca-2(7),11,13,15-tetraen-6-one
CID 933532

Frequently Asked Questions

What is the IUPAC name of 13-hydroxyimino-3,4,6,7,11b,12-hexahydro-2H-isoquinolino[2,1-a]quinolin-1-one?
The IUPAC name of 13-hydroxyimino-3,4,6,7,11b,12-hexahydro-2H-isoquinolino[2,1-a]quinolin-1-one (CID 3828929) is 13-hydroxyimino-3,4,6,7,11b,12-hexahydro-2H-isoquinolino[2,1-a]quinolin-1-one.
What is the SMILES notation for 13-hydroxyimino-3,4,6,7,11b,12-hexahydro-2H-isoquinolino[2,1-a]quinolin-1-one?
The canonical SMILES for 13-hydroxyimino-3,4,6,7,11b,12-hexahydro-2H-isoquinolino[2,1-a]quinolin-1-one is O=C1CCCC2=C1C(=NO)CC1c3ccccc3CCN21.
What is the InChIKey of 13-hydroxyimino-3,4,6,7,11b,12-hexahydro-2H-isoquinolino[2,1-a]quinolin-1-one?
The InChIKey is DKBIHLNAKPTGKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c20-16-7-3-6-14-17(16)13(18-21)10-15-12-5-2-1-4-11(12)8-9-19(14)15/h1-2,4-5,15,21H,3,6-10H2.
What are the key properties of 13-hydroxyimino-3,4,6,7,11b,12-hexahydro-2H-isoquinolino[2,1-a]quinolin-1-one?
13-hydroxyimino-3,4,6,7,11b,12-hexahydro-2H-isoquinolino[2,1-a]quinolin-1-one has a molecular weight of 282.34 g/mol, XLogP of 2.83, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 13-hydroxyimino-3,4,6,7,11b,12-hexahydro-2H-isoquinolino[2,1-a]quinolin-1-one is sourced from PubChem (CID 3828929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).