(13aS)-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-g][1,6]naphthyridine

C16H16N2 — CID 125495617

IUPAC(13aS)-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-g][1,6]naphthyridine
SMILESc1ccc2c(c1)CCN1Cc3cccnc3C[C@@H]21
InChIInChI=1S/C16H16N2/c1-2-6-14-12(4-1)7-9-18-11-13-5-3-8-17-15(13)10-16(14)18/h1-6,8,16H,7,9-11H2/t16-/m0/s1
InChIKeyISALQUHTWBTCIS-INIZCTEOSA-N
MW236.32 g/mol
LogP2.74
Rot. Bonds

About (13aS)-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-g][1,6]naphthyridine

(13aS)-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-g][1,6]naphthyridine (PubChem CID 125495617) has the molecular formula C16H16N2 and a molecular weight of 236.32 g/mol. Its IUPAC name is (13aS)-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-g][1,6]naphthyridine.

Molecular Properties

Compound Name(13aS)-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-g][1,6]naphthyridine
PubChem CID125495617
Molecular FormulaC16H16N2
Molecular Weight236.32 g/mol
Exact Mass236.13
IUPAC Name(13aS)-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-g][1,6]naphthyridine
SMILESc1ccc2c(c1)CCN1Cc3cccnc3C[C@@H]21
InChIInChI=1S/C16H16N2/c1-2-6-14-12(4-1)7-9-18-11-13-5-3-8-17-15(13)10-16(14)18/h1-6,8,16H,7,9-11H2/t16-/m0/s1
InChIKeyISALQUHTWBTCIS-INIZCTEOSA-N
XLogP2.74
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (13aS)-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-g][1,6]naphthyridine with MolForge

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Related Compounds

(3S)-12,22-diazapentacyclo[12.8.0.03,12.04,9.016,21]docosa-1(22),4,6,8,14,16,18,20-octaene
CID 164671810
6-(1-benzhydrylpiperidin-4-yl)-7,8-dihydro-5H-1,6-naphthyridine
CID 164880569
2-piperazin-1-yl-7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene
CID 14835672
N-(1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-ylideneamino)aniline
CID 57263996
7-(azetidin-1-yl)-5,6,7,8-tetrahydroquinoline
CID 14835988
5,6,8,10,11,11a-hexahydropyrazino[1,2-h][1,7]naphthyridin-9-one
CID 171786858
1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine
CID 122364481
3-methyl-5,6,13,13a-tetrahydroisoquinolino[2,1-g][1,6]naphthyridin-8-one
CID 14781002
2-methyl-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine
CID 135003203
(2R,11bR)-2-chloro-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine
CID 86337762
(2R,11bS)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-amine
CID 12940176
7-(1-benzhydrylpiperidin-4-yl)-6,8-dihydro-5H-1,7-naphthyridine
CID 164880666

Frequently Asked Questions

What is the IUPAC name of (13aS)-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-g][1,6]naphthyridine?
The IUPAC name of (13aS)-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-g][1,6]naphthyridine (CID 125495617) is (13aS)-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-g][1,6]naphthyridine.
What is the SMILES notation for (13aS)-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-g][1,6]naphthyridine?
The canonical SMILES for (13aS)-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-g][1,6]naphthyridine is c1ccc2c(c1)CCN1Cc3cccnc3C[C@@H]21.
What is the InChIKey of (13aS)-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-g][1,6]naphthyridine?
The InChIKey is ISALQUHTWBTCIS-INIZCTEOSA-N. The full InChI is InChI=1S/C16H16N2/c1-2-6-14-12(4-1)7-9-18-11-13-5-3-8-17-15(13)10-16(14)18/h1-6,8,16H,7,9-11H2/t16-/m0/s1.
What are the key properties of (13aS)-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-g][1,6]naphthyridine?
(13aS)-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-g][1,6]naphthyridine has a molecular weight of 236.32 g/mol, XLogP of 2.74, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (13aS)-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-g][1,6]naphthyridine is sourced from PubChem (CID 125495617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).