6a,7,8,9,10,10a-hexahydro-6H-indolo[4,3-fg]quinolin-4-ylthiourea

C15H18N4S — CID 21277303

IUPAC6a,7,8,9,10,10a-hexahydro-6H-indolo[4,3-fg]quinolin-4-ylthiourea
SMILESNC(=S)Nn1cc2c3c(cccc31)C1CCCNC1C2
InChIInChI=1S/C15H18N4S/c16-15(20)18-19-8-9-7-12-10(4-2-6-17-12)11-3-1-5-13(19)14(9)11/h1,3,5,8,10,12,17H,2,4,6-7H2,(H3,16,18,20)
InChIKeyYDNMRUJQWWJPAS-UHFFFAOYSA-N
MW286.40 g/mol
LogP1.82
Rot. Bonds1

About 6a,7,8,9,10,10a-hexahydro-6H-indolo[4,3-fg]quinolin-4-ylthiourea

6a,7,8,9,10,10a-hexahydro-6H-indolo[4,3-fg]quinolin-4-ylthiourea (PubChem CID 21277303) has the molecular formula C15H18N4S and a molecular weight of 286.40 g/mol. Its IUPAC name is 6a,7,8,9,10,10a-hexahydro-6H-indolo[4,3-fg]quinolin-4-ylthiourea.

Molecular Properties

Compound Name6a,7,8,9,10,10a-hexahydro-6H-indolo[4,3-fg]quinolin-4-ylthiourea
PubChem CID21277303
Molecular FormulaC15H18N4S
Molecular Weight286.40 g/mol
Exact Mass286.13
IUPAC Name6a,7,8,9,10,10a-hexahydro-6H-indolo[4,3-fg]quinolin-4-ylthiourea
SMILESNC(=S)Nn1cc2c3c(cccc31)C1CCCNC1C2
InChIInChI=1S/C15H18N4S/c16-15(20)18-19-8-9-7-12-10(4-2-6-17-12)11-3-1-5-13(19)14(9)11/h1,3,5,8,10,12,17H,2,4,6-7H2,(H3,16,18,20)
InChIKeyYDNMRUJQWWJPAS-UHFFFAOYSA-N
XLogP1.82
TPSA55.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 6a,7,8,9,10,10a-hexahydro-6H-indolo[4,3-fg]quinolin-4-ylthiourea with MolForge

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Related Compounds

[(6aR,10aR)-6a,7,8,9,10,10a-hexahydro-6H-indolo[4,3-fg]quinolin-4-yl]urea
CID 57139095
(6aR,10aR)-4-fluoro-6a,7,8,9,10,10a-hexahydro-6H-indolo[4,3-fg]quinoline
CID 67754280
[(6aR,10aR)-6a,7,8,9,10,10a-hexahydro-6H-indolo[4,3-fg]quinolin-4-yl]sulfanylurea
CID 88599822
CID 67851799
CID 67851799
(6aR,10aR)-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline;ethane-1,2-diamine
CID 175449167
7-bromo-2,3,4,4a,9,9a-hexahydro-1H-indeno[2,1-b]pyridine
CID 67193567
(6aR,10aR)-5-ethenyl-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline
CID 57138620
1,2,3,3a,4,8b-hexahydroindeno[2,1-b]pyrrole;carbamic acid
CID 67722787
(6aR,10aR)-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline-5-carbaldehyde
CID 88506814
(4aS,9aR)-6-bromo-2,3,4,4a,9,9a-hexahydro-1H-indeno[2,1-b]pyridine
CID 67223868
(9aS)-6-methoxy-2,3,4,4a,9,9a-hexahydro-1H-indeno[2,1-b]pyridine
CID 58294510
2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidine
CID 13350945

Frequently Asked Questions

What is the IUPAC name of 6a,7,8,9,10,10a-hexahydro-6H-indolo[4,3-fg]quinolin-4-ylthiourea?
The IUPAC name of 6a,7,8,9,10,10a-hexahydro-6H-indolo[4,3-fg]quinolin-4-ylthiourea (CID 21277303) is 6a,7,8,9,10,10a-hexahydro-6H-indolo[4,3-fg]quinolin-4-ylthiourea.
What is the SMILES notation for 6a,7,8,9,10,10a-hexahydro-6H-indolo[4,3-fg]quinolin-4-ylthiourea?
The canonical SMILES for 6a,7,8,9,10,10a-hexahydro-6H-indolo[4,3-fg]quinolin-4-ylthiourea is NC(=S)Nn1cc2c3c(cccc31)C1CCCNC1C2.
What is the InChIKey of 6a,7,8,9,10,10a-hexahydro-6H-indolo[4,3-fg]quinolin-4-ylthiourea?
The InChIKey is YDNMRUJQWWJPAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4S/c16-15(20)18-19-8-9-7-12-10(4-2-6-17-12)11-3-1-5-13(19)14(9)11/h1,3,5,8,10,12,17H,2,4,6-7H2,(H3,16,18,20).
What are the key properties of 6a,7,8,9,10,10a-hexahydro-6H-indolo[4,3-fg]quinolin-4-ylthiourea?
6a,7,8,9,10,10a-hexahydro-6H-indolo[4,3-fg]quinolin-4-ylthiourea has a molecular weight of 286.40 g/mol, XLogP of 1.82, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6a,7,8,9,10,10a-hexahydro-6H-indolo[4,3-fg]quinolin-4-ylthiourea is sourced from PubChem (CID 21277303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).