(6aR,10aR)-9-(pyrazol-1-ylmethylidene)-6,6a,7,8,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline

C18H18N4 — CID 151341014

IUPAC(6aR,10aR)-9-(pyrazol-1-ylmethylidene)-6,6a,7,8,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline
SMILESC(=C1CN[C@@H]2Cc3c[nH]c4cccc(c34)[C@H]2C1)n1cccn1
InChIInChI=1S/C18H18N4/c1-3-14-15-7-12(11-22-6-2-5-21-22)9-19-17(15)8-13-10-20-16(4-1)18(13)14/h1-6,10-11,15,17,19-20H,7-9H2/t15-,17-/m1/s1
InChIKeyOKMBJFSFNHVKKX-NVXWUHKLSA-N
MW290.37 g/mol
LogP2.91
Rot. Bonds1

About (6aR,10aR)-9-(pyrazol-1-ylmethylidene)-6,6a,7,8,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline

(6aR,10aR)-9-(pyrazol-1-ylmethylidene)-6,6a,7,8,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline (PubChem CID 151341014) has the molecular formula C18H18N4 and a molecular weight of 290.37 g/mol. Its IUPAC name is (6aR,10aR)-9-(pyrazol-1-ylmethylidene)-6,6a,7,8,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline.

Molecular Properties

Compound Name(6aR,10aR)-9-(pyrazol-1-ylmethylidene)-6,6a,7,8,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline
PubChem CID151341014
Molecular FormulaC18H18N4
Molecular Weight290.37 g/mol
Exact Mass290.15
IUPAC Name(6aR,10aR)-9-(pyrazol-1-ylmethylidene)-6,6a,7,8,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline
SMILESC(=C1CN[C@@H]2Cc3c[nH]c4cccc(c34)[C@H]2C1)n1cccn1
InChIInChI=1S/C18H18N4/c1-3-14-15-7-12(11-22-6-2-5-21-22)9-19-17(15)8-13-10-20-16(4-1)18(13)14/h1-6,10-11,15,17,19-20H,7-9H2/t15-,17-/m1/s1
InChIKeyOKMBJFSFNHVKKX-NVXWUHKLSA-N
XLogP2.91
TPSA45.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

CID 67851799
CID 67851799
(6aR,9S,10aR)-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinolin-9-amine
CID 15780345
(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
10,15-diazapentacyclo[11.6.1.02,11.03,8.016,20]icosa-1(20),3,5,7,13,16,18-heptaene
CID 13491943
(6aR,10aR)-9-pyridazin-3-yl-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline
CID 70573336
(6aR,10aR)-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline;ethane-1,2-diamine
CID 175449167
N-[(6aR)-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinolin-9-yl]acetamide
CID 54536481
2-[[(9R,10aR)-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinolin-9-yl]methylsulfanyl]ethanol
CID 90128946
(6aR,9R)-7-methyl-9-[(2-propan-2-ylimidazol-1-yl)methyl]-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline
CID 3064760
2-[(6aR)-7-methyl-4,6,6a,8,10,10a-hexahydroindolo[4,3-fg]quinolin-9-ylidene]-N-(6-chloropyridazin-3-yl)acetamide
CID 54265064
[(6aS,9R,10aS)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methanol
CID 40542631

Frequently Asked Questions

What is the IUPAC name of (6aR,10aR)-9-(pyrazol-1-ylmethylidene)-6,6a,7,8,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline?
The IUPAC name of (6aR,10aR)-9-(pyrazol-1-ylmethylidene)-6,6a,7,8,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline (CID 151341014) is (6aR,10aR)-9-(pyrazol-1-ylmethylidene)-6,6a,7,8,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline.
What is the SMILES notation for (6aR,10aR)-9-(pyrazol-1-ylmethylidene)-6,6a,7,8,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline?
The canonical SMILES for (6aR,10aR)-9-(pyrazol-1-ylmethylidene)-6,6a,7,8,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline is C(=C1CN[C@@H]2Cc3c[nH]c4cccc(c34)[C@H]2C1)n1cccn1.
What is the InChIKey of (6aR,10aR)-9-(pyrazol-1-ylmethylidene)-6,6a,7,8,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline?
The InChIKey is OKMBJFSFNHVKKX-NVXWUHKLSA-N. The full InChI is InChI=1S/C18H18N4/c1-3-14-15-7-12(11-22-6-2-5-21-22)9-19-17(15)8-13-10-20-16(4-1)18(13)14/h1-6,10-11,15,17,19-20H,7-9H2/t15-,17-/m1/s1.
What are the key properties of (6aR,10aR)-9-(pyrazol-1-ylmethylidene)-6,6a,7,8,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline?
(6aR,10aR)-9-(pyrazol-1-ylmethylidene)-6,6a,7,8,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline has a molecular weight of 290.37 g/mol, XLogP of 2.91, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6aR,10aR)-9-(pyrazol-1-ylmethylidene)-6,6a,7,8,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline is sourced from PubChem (CID 151341014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).