(6aR,9S)-7-ethyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-amine

C16H19N3 — CID 70392867

IUPAC(6aR,9S)-7-ethyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-amine
SMILESCCN1C[C@@H](N)C=C2c3cccc4[nH]cc(c34)C[C@H]21
InChIInChI=1S/C16H19N3/c1-2-19-9-11(17)7-13-12-4-3-5-14-16(12)10(8-18-14)6-15(13)19/h3-5,7-8,11,15,18H,2,6,9,17H2,1H3/t11-,15+/m0/s1
InChIKeyAZONKFUCMDMEKW-XHDPSFHLSA-N
MW253.35 g/mol
LogP2.14
Rot. Bonds1

About (6aR,9S)-7-ethyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-amine

(6aR,9S)-7-ethyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-amine (PubChem CID 70392867) has the molecular formula C16H19N3 and a molecular weight of 253.35 g/mol. Its IUPAC name is (6aR,9S)-7-ethyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-amine.

Molecular Properties

Compound Name(6aR,9S)-7-ethyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-amine
PubChem CID70392867
Molecular FormulaC16H19N3
Molecular Weight253.35 g/mol
Exact Mass253.16
IUPAC Name(6aR,9S)-7-ethyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-amine
SMILESCCN1C[C@@H](N)C=C2c3cccc4[nH]cc(c34)C[C@H]21
InChIInChI=1S/C16H19N3/c1-2-19-9-11(17)7-13-12-4-3-5-14-16(12)10(8-18-14)6-15(13)19/h3-5,7-8,11,15,18H,2,6,9,17H2,1H3/t11-,15+/m0/s1
InChIKeyAZONKFUCMDMEKW-XHDPSFHLSA-N
XLogP2.14
TPSA45.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

7-ethyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline
CID 166091851
cyclopropane;7-propyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
CID 171536907
(6aR)-9-(iodomethyl)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline
CID 166091886
[(6aR,9R)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]methylurea
CID 70390159
2-[(6aR)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]-N,N-diethylacetamide
CID 159746240
(6aR,9R)-7-methyl-9-(phenylsulfanylmethyl)-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline
CID 14107774
(9R)-N,N-bis(2-fluoroethyl)-7-propyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
CID 172577939
methyl (6aR)-7-(cyclopropylmethyl)-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxylate
CID 57180445
(6aS,9S)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxylic acid
CID 102031246
N,N-diethyl-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
CID 3981
(6aR,9R)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide;methylsulfanylmethane
CID 174364920
(6aR,9R)-7-benzyl-N,N-dimethyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
CID 172577893

Frequently Asked Questions

What is the IUPAC name of (6aR,9S)-7-ethyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-amine?
The IUPAC name of (6aR,9S)-7-ethyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-amine (CID 70392867) is (6aR,9S)-7-ethyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-amine.
What is the SMILES notation for (6aR,9S)-7-ethyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-amine?
The canonical SMILES for (6aR,9S)-7-ethyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-amine is CCN1C[C@@H](N)C=C2c3cccc4[nH]cc(c34)C[C@H]21.
What is the InChIKey of (6aR,9S)-7-ethyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-amine?
The InChIKey is AZONKFUCMDMEKW-XHDPSFHLSA-N. The full InChI is InChI=1S/C16H19N3/c1-2-19-9-11(17)7-13-12-4-3-5-14-16(12)10(8-18-14)6-15(13)19/h3-5,7-8,11,15,18H,2,6,9,17H2,1H3/t11-,15+/m0/s1.
What are the key properties of (6aR,9S)-7-ethyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-amine?
(6aR,9S)-7-ethyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-amine has a molecular weight of 253.35 g/mol, XLogP of 2.14, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6aR,9S)-7-ethyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-amine is sourced from PubChem (CID 70392867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).