(3E,11bR)-3-(dimethylaminomethylidene)-1,6,7,11b-tetrahydrobenzo[a]quinolizine-2,4-dione

C16H18N2O2 — CID 1478903

IUPAC(3E,11bR)-3-(dimethylaminomethylidene)-1,6,7,11b-tetrahydrobenzo[a]quinolizine-2,4-dione
SMILESCN(C)/C=C1\C(=O)C[C@@H]2c3ccccc3CCN2C1=O
InChIInChI=1S/C16H18N2O2/c1-17(2)10-13-15(19)9-14-12-6-4-3-5-11(12)7-8-18(14)16(13)20/h3-6,10,14H,7-9H2,1-2H3/b13-10+/t14-/m1/s1
InChIKeyAUNDIZGRRIFIKK-JWAFFJSPSA-N
MW270.33 g/mol
LogP1.53
Rot. Bonds1

About (3E,11bR)-3-(dimethylaminomethylidene)-1,6,7,11b-tetrahydrobenzo[a]quinolizine-2,4-dione

(3E,11bR)-3-(dimethylaminomethylidene)-1,6,7,11b-tetrahydrobenzo[a]quinolizine-2,4-dione (PubChem CID 1478903) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is (3E,11bR)-3-(dimethylaminomethylidene)-1,6,7,11b-tetrahydrobenzo[a]quinolizine-2,4-dione.

Molecular Properties

Compound Name(3E,11bR)-3-(dimethylaminomethylidene)-1,6,7,11b-tetrahydrobenzo[a]quinolizine-2,4-dione
PubChem CID1478903
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name(3E,11bR)-3-(dimethylaminomethylidene)-1,6,7,11b-tetrahydrobenzo[a]quinolizine-2,4-dione
SMILESCN(C)/C=C1\C(=O)C[C@@H]2c3ccccc3CCN2C1=O
InChIInChI=1S/C16H18N2O2/c1-17(2)10-13-15(19)9-14-12-6-4-3-5-11(12)7-8-18(14)16(13)20/h3-6,10,14H,7-9H2,1-2H3/b13-10+/t14-/m1/s1
InChIKeyAUNDIZGRRIFIKK-JWAFFJSPSA-N
XLogP1.53
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

Analyze (3E,11bR)-3-(dimethylaminomethylidene)-1,6,7,11b-tetrahydrobenzo[a]quinolizine-2,4-dione with MolForge

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Related Compounds

2-(dimethylaminomethylidene)-5-(5,6,7,8-tetrahydronaphthalen-1-yl)cyclohexane-1,3-dione
CID 146459397
1,6,7,11b-tetrahydrobenzo[a]quinolizine-2,4-dione
CID 3702529
1-azatetracyclo[9.8.0.03,8.012,17]nonadeca-3,5,7,12,14,16-hexaen-2-one
CID 102593110
1,2,3,6,7,11b-hexahydrobenzo[a]quinolizin-4-one
CID 13144291
2,5,6,10b-tetrahydro-1H-pyrrolo[2,1-a]isoquinolin-3-one
CID 4314166
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-(dimethylaminomethylidene)-5-phenylcyclohexane-1,3-dione
CID 10890110
(3S,13E)-13-hydroxyimino-3-methyl-3,4,6,7,11b,12-hexahydro-2H-isoquinolino[2,1-a]quinolin-1-one;hydrochloride
CID 52993234
(1S)-6-methylsulfanyl-4,5,7,9,13-pentazapentacyclo[11.8.0.03,11.04,8.016,21]henicosa-3(11),5,7,9,16,18,20-heptaen-12-one
CID 1483345
(3Z)-4-benzoyl-3-[(4-chlorophenyl)methylidene]-1,6,7,11b-tetrahydropyridazino[6,1-a]isoquinolin-2-one
CID 132513003
2,6,7,11b-tetrahydro-1H-[1,3]oxazino[4,3-a]isoquinolin-4-one
CID 102418176
13-hydroxyimino-3,4,6,7,11b,12-hexahydro-2H-isoquinolino[2,1-a]quinolin-1-one
CID 3828929

Frequently Asked Questions

What is the IUPAC name of (3E,11bR)-3-(dimethylaminomethylidene)-1,6,7,11b-tetrahydrobenzo[a]quinolizine-2,4-dione?
The IUPAC name of (3E,11bR)-3-(dimethylaminomethylidene)-1,6,7,11b-tetrahydrobenzo[a]quinolizine-2,4-dione (CID 1478903) is (3E,11bR)-3-(dimethylaminomethylidene)-1,6,7,11b-tetrahydrobenzo[a]quinolizine-2,4-dione.
What is the SMILES notation for (3E,11bR)-3-(dimethylaminomethylidene)-1,6,7,11b-tetrahydrobenzo[a]quinolizine-2,4-dione?
The canonical SMILES for (3E,11bR)-3-(dimethylaminomethylidene)-1,6,7,11b-tetrahydrobenzo[a]quinolizine-2,4-dione is CN(C)/C=C1\C(=O)C[C@@H]2c3ccccc3CCN2C1=O.
What is the InChIKey of (3E,11bR)-3-(dimethylaminomethylidene)-1,6,7,11b-tetrahydrobenzo[a]quinolizine-2,4-dione?
The InChIKey is AUNDIZGRRIFIKK-JWAFFJSPSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-17(2)10-13-15(19)9-14-12-6-4-3-5-11(12)7-8-18(14)16(13)20/h3-6,10,14H,7-9H2,1-2H3/b13-10+/t14-/m1/s1.
What are the key properties of (3E,11bR)-3-(dimethylaminomethylidene)-1,6,7,11b-tetrahydrobenzo[a]quinolizine-2,4-dione?
(3E,11bR)-3-(dimethylaminomethylidene)-1,6,7,11b-tetrahydrobenzo[a]quinolizine-2,4-dione has a molecular weight of 270.33 g/mol, XLogP of 1.53, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,11bR)-3-(dimethylaminomethylidene)-1,6,7,11b-tetrahydrobenzo[a]quinolizine-2,4-dione is sourced from PubChem (CID 1478903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).