(6aR,9S,10aR)-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinolin-9-amine

C14H17N3 — CID 15780345

IUPAC(6aR,9S,10aR)-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinolin-9-amine
SMILESN[C@@H]1CN[C@@H]2Cc3c[nH]c4cccc(c34)[C@H]2C1
InChIInChI=1S/C14H17N3/c15-9-5-11-10-2-1-3-12-14(10)8(6-16-12)4-13(11)17-7-9/h1-3,6,9,11,13,16-17H,4-5,7,15H2/t9-,11+,13+/m0/s1
InChIKeyJHWDWUPYEQIICX-UFGOTCBOSA-N
MW227.31 g/mol
LogP1.50
Rot. Bonds

About (6aR,9S,10aR)-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinolin-9-amine

(6aR,9S,10aR)-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinolin-9-amine (PubChem CID 15780345) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is (6aR,9S,10aR)-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinolin-9-amine.

Molecular Properties

Compound Name(6aR,9S,10aR)-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinolin-9-amine
PubChem CID15780345
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC Name(6aR,9S,10aR)-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinolin-9-amine
SMILESN[C@@H]1CN[C@@H]2Cc3c[nH]c4cccc(c34)[C@H]2C1
InChIInChI=1S/C14H17N3/c15-9-5-11-10-2-1-3-12-14(10)8(6-16-12)4-13(11)17-7-9/h1-3,6,9,11,13,16-17H,4-5,7,15H2/t9-,11+,13+/m0/s1
InChIKeyJHWDWUPYEQIICX-UFGOTCBOSA-N
XLogP1.50
TPSA53.84 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze (6aR,9S,10aR)-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinolin-9-amine with MolForge

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Related Compounds

(6aR,10aR)-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinolin-9-amine
CID 57294554
[(6aR,9S,10aR)-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinolin-9-yl]methanamine
CID 70167957
(6aR,10aR)-9-pyridazin-3-yl-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline
CID 70573336
2-[[(9R,10aR)-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinolin-9-yl]methylsulfanyl]ethanol
CID 90128946
N-[(6aR)-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinolin-9-yl]acetamide
CID 54536481
CID 67851799
CID 67851799
(6aR,10aR)-N-(3-aminopropyl)-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline-9-carboxamide
CID 151097344
(6aR,10aR)-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline;ethane-1,2-diamine
CID 175449167
(4S,5S)-4-amino-1,3,4,5-tetrahydrobenzo[cd]indol-5-ol
CID 131862945
10,15-diazapentacyclo[11.6.1.02,11.03,8.016,20]icosa-1(20),3,5,7,13,16,18-heptaene
CID 13491943
(2R,7R)-3-oxa-6,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),9,12,14-tetraene-4-carboxylic acid
CID 70453146
(6aR,10aR)-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline-9-carboxamide;indolo[4,3-fg]quinoline
CID 23616047

Frequently Asked Questions

What is the IUPAC name of (6aR,9S,10aR)-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinolin-9-amine?
The IUPAC name of (6aR,9S,10aR)-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinolin-9-amine (CID 15780345) is (6aR,9S,10aR)-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinolin-9-amine.
What is the SMILES notation for (6aR,9S,10aR)-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinolin-9-amine?
The canonical SMILES for (6aR,9S,10aR)-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinolin-9-amine is N[C@@H]1CN[C@@H]2Cc3c[nH]c4cccc(c34)[C@H]2C1.
What is the InChIKey of (6aR,9S,10aR)-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinolin-9-amine?
The InChIKey is JHWDWUPYEQIICX-UFGOTCBOSA-N. The full InChI is InChI=1S/C14H17N3/c15-9-5-11-10-2-1-3-12-14(10)8(6-16-12)4-13(11)17-7-9/h1-3,6,9,11,13,16-17H,4-5,7,15H2/t9-,11+,13+/m0/s1.
What are the key properties of (6aR,9S,10aR)-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinolin-9-amine?
(6aR,9S,10aR)-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinolin-9-amine has a molecular weight of 227.31 g/mol, XLogP of 1.50, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6aR,9S,10aR)-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinolin-9-amine is sourced from PubChem (CID 15780345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).