[(6aR,10aR)-6a,7,8,9,10,10a-hexahydro-6H-indolo[4,3-fg]quinolin-4-yl]urea

C15H18N4O — CID 57139095

IUPAC[(6aR,10aR)-6a,7,8,9,10,10a-hexahydro-6H-indolo[4,3-fg]quinolin-4-yl]urea
SMILESNC(=O)Nn1cc2c3c(cccc31)[C@H]1CCCN[C@@H]1C2
InChIInChI=1S/C15H18N4O/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)/t10-,12-/m1/s1
InChIKeyFRIPFEFSCGBKOD-ZYHUDNBSSA-N
MW270.34 g/mol
LogP1.66
Rot. Bonds1

About [(6aR,10aR)-6a,7,8,9,10,10a-hexahydro-6H-indolo[4,3-fg]quinolin-4-yl]urea

[(6aR,10aR)-6a,7,8,9,10,10a-hexahydro-6H-indolo[4,3-fg]quinolin-4-yl]urea (PubChem CID 57139095) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is [(6aR,10aR)-6a,7,8,9,10,10a-hexahydro-6H-indolo[4,3-fg]quinolin-4-yl]urea.

Molecular Properties

Compound Name[(6aR,10aR)-6a,7,8,9,10,10a-hexahydro-6H-indolo[4,3-fg]quinolin-4-yl]urea
PubChem CID57139095
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name[(6aR,10aR)-6a,7,8,9,10,10a-hexahydro-6H-indolo[4,3-fg]quinolin-4-yl]urea
SMILESNC(=O)Nn1cc2c3c(cccc31)[C@H]1CCCN[C@@H]1C2
InChIInChI=1S/C15H18N4O/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)/t10-,12-/m1/s1
InChIKeyFRIPFEFSCGBKOD-ZYHUDNBSSA-N
XLogP1.66
TPSA72.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze [(6aR,10aR)-6a,7,8,9,10,10a-hexahydro-6H-indolo[4,3-fg]quinolin-4-yl]urea with MolForge

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Related Compounds

6a,7,8,9,10,10a-hexahydro-6H-indolo[4,3-fg]quinolin-4-ylthiourea
CID 21277303
[(6aR,10aR)-6a,7,8,9,10,10a-hexahydro-6H-indolo[4,3-fg]quinolin-4-yl]sulfanylurea
CID 88599822
(6aR,10aR)-4-fluoro-6a,7,8,9,10,10a-hexahydro-6H-indolo[4,3-fg]quinoline
CID 67754280
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
1,2,3,3a,4,8b-hexahydroindeno[2,1-b]pyrrole;carbamic acid
CID 67722787
(6aR,10aR)-5-ethenyl-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline
CID 57138620
(6aR,10aR)-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline-5-carbaldehyde
CID 88506814
7-bromo-2,3,4,4a,9,9a-hexahydro-1H-indeno[2,1-b]pyridine
CID 67193567
(6aR,10aR)-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline;3-[(6aR,9S,10aR)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]-1,1-diethylurea
CID 70480193
8-pyrrolidin-2-yl-5,6,7,8-tetrahydronaphthalene-1-carboxamide
CID 118008523
(4aS,9aR)-6-bromo-2,3,4,4a,9,9a-hexahydro-1H-indeno[2,1-b]pyridine
CID 67223868

Frequently Asked Questions

What is the IUPAC name of [(6aR,10aR)-6a,7,8,9,10,10a-hexahydro-6H-indolo[4,3-fg]quinolin-4-yl]urea?
The IUPAC name of [(6aR,10aR)-6a,7,8,9,10,10a-hexahydro-6H-indolo[4,3-fg]quinolin-4-yl]urea (CID 57139095) is [(6aR,10aR)-6a,7,8,9,10,10a-hexahydro-6H-indolo[4,3-fg]quinolin-4-yl]urea.
What is the SMILES notation for [(6aR,10aR)-6a,7,8,9,10,10a-hexahydro-6H-indolo[4,3-fg]quinolin-4-yl]urea?
The canonical SMILES for [(6aR,10aR)-6a,7,8,9,10,10a-hexahydro-6H-indolo[4,3-fg]quinolin-4-yl]urea is NC(=O)Nn1cc2c3c(cccc31)[C@H]1CCCN[C@@H]1C2.
What is the InChIKey of [(6aR,10aR)-6a,7,8,9,10,10a-hexahydro-6H-indolo[4,3-fg]quinolin-4-yl]urea?
The InChIKey is FRIPFEFSCGBKOD-ZYHUDNBSSA-N. The full InChI is InChI=1S/C15H18N4O/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)/t10-,12-/m1/s1.
What are the key properties of [(6aR,10aR)-6a,7,8,9,10,10a-hexahydro-6H-indolo[4,3-fg]quinolin-4-yl]urea?
[(6aR,10aR)-6a,7,8,9,10,10a-hexahydro-6H-indolo[4,3-fg]quinolin-4-yl]urea has a molecular weight of 270.34 g/mol, XLogP of 1.66, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(6aR,10aR)-6a,7,8,9,10,10a-hexahydro-6H-indolo[4,3-fg]quinolin-4-yl]urea is sourced from PubChem (CID 57139095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).