(6aR,9S,10aR)-5-(morpholin-4-ylmethyl)-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-amine

C22H32N4O — CID 15069961

IUPAC(6aR,9S,10aR)-5-(morpholin-4-ylmethyl)-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-amine
SMILESCCCN1C[C@@H](N)C[C@@H]2c3cccc4[nH]c(CN5CCOCC5)c(c34)C[C@H]21
InChIInChI=1S/C22H32N4O/c1-2-6-26-13-15(23)11-17-16-4-3-5-19-22(16)18(12-21(17)26)20(24-19)14-25-7-9-27-10-8-25/h3-5,15,17,21,24H,2,6-14,23H2,1H3/t15-,17+,21+/m0/s1
InChIKeyXLOVRZXZVUZXQG-LUQKVYGDSA-N
MW368.53 g/mol
LogP2.45
Rot. Bonds4

About (6aR,9S,10aR)-5-(morpholin-4-ylmethyl)-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-amine

(6aR,9S,10aR)-5-(morpholin-4-ylmethyl)-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-amine (PubChem CID 15069961) has the molecular formula C22H32N4O and a molecular weight of 368.53 g/mol. Its IUPAC name is (6aR,9S,10aR)-5-(morpholin-4-ylmethyl)-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-amine.

Molecular Properties

Compound Name(6aR,9S,10aR)-5-(morpholin-4-ylmethyl)-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-amine
PubChem CID15069961
Molecular FormulaC22H32N4O
Molecular Weight368.53 g/mol
Exact Mass368.26
IUPAC Name(6aR,9S,10aR)-5-(morpholin-4-ylmethyl)-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-amine
SMILESCCCN1C[C@@H](N)C[C@@H]2c3cccc4[nH]c(CN5CCOCC5)c(c34)C[C@H]21
InChIInChI=1S/C22H32N4O/c1-2-6-26-13-15(23)11-17-16-4-3-5-19-22(16)18(12-21(17)26)20(24-19)14-25-7-9-27-10-8-25/h3-5,15,17,21,24H,2,6-14,23H2,1H3/t15-,17+,21+/m0/s1
InChIKeyXLOVRZXZVUZXQG-LUQKVYGDSA-N
XLogP2.45
TPSA57.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.53
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (6aR,9S,10aR)-5-(morpholin-4-ylmethyl)-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (6aR,9S,10aR)-5-(morpholin-4-ylmethyl)-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-amine?
The IUPAC name of (6aR,9S,10aR)-5-(morpholin-4-ylmethyl)-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-amine (CID 15069961) is (6aR,9S,10aR)-5-(morpholin-4-ylmethyl)-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-amine.
What is the SMILES notation for (6aR,9S,10aR)-5-(morpholin-4-ylmethyl)-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-amine?
The canonical SMILES for (6aR,9S,10aR)-5-(morpholin-4-ylmethyl)-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-amine is CCCN1C[C@@H](N)C[C@@H]2c3cccc4[nH]c(CN5CCOCC5)c(c34)C[C@H]21.
What is the InChIKey of (6aR,9S,10aR)-5-(morpholin-4-ylmethyl)-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-amine?
The InChIKey is XLOVRZXZVUZXQG-LUQKVYGDSA-N. The full InChI is InChI=1S/C22H32N4O/c1-2-6-26-13-15(23)11-17-16-4-3-5-19-22(16)18(12-21(17)26)20(24-19)14-25-7-9-27-10-8-25/h3-5,15,17,21,24H,2,6-14,23H2,1H3/t15-,17+,21+/m0/s1.
What are the key properties of (6aR,9S,10aR)-5-(morpholin-4-ylmethyl)-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-amine?
(6aR,9S,10aR)-5-(morpholin-4-ylmethyl)-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-amine has a molecular weight of 368.53 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6aR,9S,10aR)-5-(morpholin-4-ylmethyl)-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-amine is sourced from PubChem (CID 15069961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).