13,13a-dihydro-4aH-isoquinolino[1,2-a]isoquinoline

C17H15N — CID 91268092

IUPAC13,13a-dihydro-4aH-isoquinolino[1,2-a]isoquinoline
SMILESC1=CCC2C(=C1)C=CN1C=CC3C=CC=CC3=C21
InChIInChI=1S/C17H15N/c1-3-7-15-13(5-1)9-11-18-12-10-14-6-2-4-8-16(14)17(15)18/h1-7,9-13,16H,8H2
InChIKeySTFANSKHIOTXNY-UHFFFAOYSA-N
MW233.31 g/mol
LogP3.84
Rot. Bonds

About 13,13a-dihydro-4aH-isoquinolino[1,2-a]isoquinoline

13,13a-dihydro-4aH-isoquinolino[1,2-a]isoquinoline (PubChem CID 91268092) has the molecular formula C17H15N and a molecular weight of 233.31 g/mol. Its IUPAC name is 13,13a-dihydro-4aH-isoquinolino[1,2-a]isoquinoline.

Molecular Properties

Compound Name13,13a-dihydro-4aH-isoquinolino[1,2-a]isoquinoline
PubChem CID91268092
Molecular FormulaC17H15N
Molecular Weight233.31 g/mol
Exact Mass233.12
IUPAC Name13,13a-dihydro-4aH-isoquinolino[1,2-a]isoquinoline
SMILESC1=CCC2C(=C1)C=CN1C=CC3C=CC=CC3=C21
InChIInChI=1S/C17H15N/c1-3-7-15-13(5-1)9-11-18-12-10-14-6-2-4-8-16(14)17(15)18/h1-7,9-13,16H,8H2
InChIKeySTFANSKHIOTXNY-UHFFFAOYSA-N
XLogP3.84
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

11a,11b-dihydro-11H-benzo[a]quinolizine
CID 21252522
1-Azatricyclo[7.3.1.05,13]trideca-2,7,9(13),10-tetraene
CID 19431233
1H-isoquinolino[2,1-b]isoquinoline
CID 19964382
9-Azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,5,7,13(17),14-hexaene
CID 21886953
8-Methylidene-1,2-dihydroquinolizine
CID 23534388
1H-pyrido[1,2-f]phenanthridine
CID 56616008
7aH-benzo[a]quinolizine
CID 57313595
N-cyclohexa-1,3-dien-1-yl-N-cyclohexa-2,4-dien-1-yl-4,4a,5,6-tetrahydronaphthalen-2-amine
CID 59524060
(11bS)-11a,11b-dihydro-11H-benzo[a]quinolizine
CID 68935734
10,23-Diazaheptacyclo[17.7.1.16,10.02,17.04,15.023,27.014,28]octacosa-1(27),2,4,6,8,11,14(28),15,17,21,24-undecaene
CID 87649059
6,12a-Dihydrobenzo[a]phenanthridine
CID 88502559
1,7-dimethyl-6,7-dihydro-4H-quinoline
CID 89043640

Frequently Asked Questions

What is the IUPAC name of 13,13a-dihydro-4aH-isoquinolino[1,2-a]isoquinoline?
The IUPAC name of 13,13a-dihydro-4aH-isoquinolino[1,2-a]isoquinoline (CID 91268092) is 13,13a-dihydro-4aH-isoquinolino[1,2-a]isoquinoline.
What is the SMILES notation for 13,13a-dihydro-4aH-isoquinolino[1,2-a]isoquinoline?
The canonical SMILES for 13,13a-dihydro-4aH-isoquinolino[1,2-a]isoquinoline is C1=CCC2C(=C1)C=CN1C=CC3C=CC=CC3=C21.
What is the InChIKey of 13,13a-dihydro-4aH-isoquinolino[1,2-a]isoquinoline?
The InChIKey is STFANSKHIOTXNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N/c1-3-7-15-13(5-1)9-11-18-12-10-14-6-2-4-8-16(14)17(15)18/h1-7,9-13,16H,8H2.
What are the key properties of 13,13a-dihydro-4aH-isoquinolino[1,2-a]isoquinoline?
13,13a-dihydro-4aH-isoquinolino[1,2-a]isoquinoline has a molecular weight of 233.31 g/mol, XLogP of 3.84, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 13,13a-dihydro-4aH-isoquinolino[1,2-a]isoquinoline is sourced from PubChem (CID 91268092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).