(4bR,10bR)-4b,5,6,10b,11,12-hexahydroisoquinolino[4,3-c]quinoline

C16H16N2 — CID 15939421

IUPAC(4bR,10bR)-4b,5,6,10b,11,12-hexahydroisoquinolino[4,3-c]quinoline
SMILESc1ccc2c(c1)CN[C@H]1c3ccccc3NC[C@@H]21
InChIInChI=1S/C16H16N2/c1-2-6-12-11(5-1)9-18-16-13-7-3-4-8-15(13)17-10-14(12)16/h1-8,14,16-18H,9-10H2/t14-,16-/m0/s1
InChIKeyPNUZWRVLKMCSKB-HOCLYGCPSA-N
MW236.32 g/mol
LogP3.04
Rot. Bonds

About (4bR,10bR)-4b,5,6,10b,11,12-hexahydroisoquinolino[4,3-c]quinoline

(4bR,10bR)-4b,5,6,10b,11,12-hexahydroisoquinolino[4,3-c]quinoline (PubChem CID 15939421) has the molecular formula C16H16N2 and a molecular weight of 236.32 g/mol. Its IUPAC name is (4bR,10bR)-4b,5,6,10b,11,12-hexahydroisoquinolino[4,3-c]quinoline.

Molecular Properties

Compound Name(4bR,10bR)-4b,5,6,10b,11,12-hexahydroisoquinolino[4,3-c]quinoline
PubChem CID15939421
Molecular FormulaC16H16N2
Molecular Weight236.32 g/mol
Exact Mass236.13
IUPAC Name(4bR,10bR)-4b,5,6,10b,11,12-hexahydroisoquinolino[4,3-c]quinoline
SMILESc1ccc2c(c1)CN[C@H]1c3ccccc3NC[C@@H]21
InChIInChI=1S/C16H16N2/c1-2-6-12-11(5-1)9-18-16-13-7-3-4-8-15(13)17-10-14(12)16/h1-8,14,16-18H,9-10H2/t14-,16-/m0/s1
InChIKeyPNUZWRVLKMCSKB-HOCLYGCPSA-N
XLogP3.04
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (4bR,10bR)-4b,5,6,10b,11,12-hexahydroisoquinolino[4,3-c]quinoline with MolForge

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Related Compounds

1-[(1S)-2,3-dihydro-1H-isoindol-1-yl]-2,3-dihydro-1H-isoindole
CID 134966624
(1aR)-1a,2,3,7b-tetrahydro-1H-cyclopropa[c]isoquinoline
CID 135278031
1,2,2a,3,4,8b-hexahydrocyclobuta[c]isoquinoline
CID 154316828
(2aS,8bR)-2a,3,4,8b-tetrahydro-1H-azeto[3,2-c]isoquinolin-2-one
CID 139094638
6,11-dihydro-5H-pyrido[4,3-c][1]benzazepin-11-ol
CID 70399337
(3R)-2,3-dihydro-1H-indol-3-ol
CID 67667878
(1S)-1-fluoro-2,3-dihydro-1H-isoindole
CID 97110854
3-hydroperoxy-2,3-dihydro-1H-indole
CID 119084044
4-(2,3-dihydro-1H-isoindol-1-yl)cyclohexan-1-amine
CID 83261375
(3aS)-2,3,3a,5,6,10b-hexahydro-1H-pyrrolo[3,4-d][2]benzazepin-4-one
CID 67470963
1,2,3,3a,4,5,6,10b-octahydropyrrolo[3,4-d][2]benzazepine
CID 66819083
(6aR,10aS)-5,6,6a,7,8,9,10,10a-octahydrophenanthridine
CID 100962245

Frequently Asked Questions

What is the IUPAC name of (4bR,10bR)-4b,5,6,10b,11,12-hexahydroisoquinolino[4,3-c]quinoline?
The IUPAC name of (4bR,10bR)-4b,5,6,10b,11,12-hexahydroisoquinolino[4,3-c]quinoline (CID 15939421) is (4bR,10bR)-4b,5,6,10b,11,12-hexahydroisoquinolino[4,3-c]quinoline.
What is the SMILES notation for (4bR,10bR)-4b,5,6,10b,11,12-hexahydroisoquinolino[4,3-c]quinoline?
The canonical SMILES for (4bR,10bR)-4b,5,6,10b,11,12-hexahydroisoquinolino[4,3-c]quinoline is c1ccc2c(c1)CN[C@H]1c3ccccc3NC[C@@H]21.
What is the InChIKey of (4bR,10bR)-4b,5,6,10b,11,12-hexahydroisoquinolino[4,3-c]quinoline?
The InChIKey is PNUZWRVLKMCSKB-HOCLYGCPSA-N. The full InChI is InChI=1S/C16H16N2/c1-2-6-12-11(5-1)9-18-16-13-7-3-4-8-15(13)17-10-14(12)16/h1-8,14,16-18H,9-10H2/t14-,16-/m0/s1.
What are the key properties of (4bR,10bR)-4b,5,6,10b,11,12-hexahydroisoquinolino[4,3-c]quinoline?
(4bR,10bR)-4b,5,6,10b,11,12-hexahydroisoquinolino[4,3-c]quinoline has a molecular weight of 236.32 g/mol, XLogP of 3.04, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4bR,10bR)-4b,5,6,10b,11,12-hexahydroisoquinolino[4,3-c]quinoline is sourced from PubChem (CID 15939421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).