(6aR,9R,10aR)-7-methyl-9-[(4-phenylimidazol-1-yl)methyl]-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline

C25H26N4 — CID 10430006

IUPAC(6aR,9R,10aR)-7-methyl-9-[(4-phenylimidazol-1-yl)methyl]-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline
SMILESCN1C[C@H](Cn2cnc(-c3ccccc3)c2)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21
InChIInChI=1S/C25H26N4/c1-28-13-17(14-29-15-23(27-16-29)18-6-3-2-4-7-18)10-21-20-8-5-9-22-25(20)19(12-26-22)11-24(21)28/h2-9,12,15-17,21,24,26H,10-11,13-14H2,1H3/t17-,21-,24-/m1/s1
InChIKeyCYXDHGHIOWUWPM-NYQDVAGCSA-N
MW382.51 g/mol
LogP4.69
Rot. Bonds3

About (6aR,9R,10aR)-7-methyl-9-[(4-phenylimidazol-1-yl)methyl]-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline

(6aR,9R,10aR)-7-methyl-9-[(4-phenylimidazol-1-yl)methyl]-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline (PubChem CID 10430006) has the molecular formula C25H26N4 and a molecular weight of 382.51 g/mol. Its IUPAC name is (6aR,9R,10aR)-7-methyl-9-[(4-phenylimidazol-1-yl)methyl]-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline.

Molecular Properties

Compound Name(6aR,9R,10aR)-7-methyl-9-[(4-phenylimidazol-1-yl)methyl]-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline
PubChem CID10430006
Molecular FormulaC25H26N4
Molecular Weight382.51 g/mol
Exact Mass382.22
IUPAC Name(6aR,9R,10aR)-7-methyl-9-[(4-phenylimidazol-1-yl)methyl]-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline
SMILESCN1C[C@H](Cn2cnc(-c3ccccc3)c2)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21
InChIInChI=1S/C25H26N4/c1-28-13-17(14-29-15-23(27-16-29)18-6-3-2-4-7-18)10-21-20-8-5-9-22-25(20)19(12-26-22)11-24(21)28/h2-9,12,15-17,21,24,26H,10-11,13-14H2,1H3/t17-,21-,24-/m1/s1
InChIKeyCYXDHGHIOWUWPM-NYQDVAGCSA-N
XLogP4.69
TPSA36.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (6aR,9R,10aR)-7-methyl-9-[(4-phenylimidazol-1-yl)methyl]-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline with MolForge

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Related Compounds

(6aR,9R,10aR)-7-methyl-9-(tetrazol-1-ylmethyl)-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline
CID 10040940
[(6aS,9R,10aS)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methanol
CID 40542631
5-[[(6aR,9R,10aR)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one
CID 10547422
(6aR,9S,10aR)-9-[(4-benzhydrylpiperazin-1-yl)methyl]-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline
CID 70119202
4-[[(6aR,10aR)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methyl]-1-aminopiperazine-2,6-dione
CID 70418798
3-[(6aR,9R)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]propanethial
CID 90108117
(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
4-[[(6aR,9S,10aR)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methyl]-1-phenylpiperazine-2,6-dione
CID 10764993
2-[(9S)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]acetonitrile
CID 10364519
(6aR,9R,10aR)-7-methyl-9-(methylsulfanylmethyl)-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline;hydrochloride
CID 21154393
3-[[(6aR,10aR)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methyl]-5-hydroxy-1H-imidazol-2-one
CID 57299384
1-[[(6aR,10aR)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methyl]-4-hydroxy-3-methylimidazol-2-one
CID 57098230

Frequently Asked Questions

What is the IUPAC name of (6aR,9R,10aR)-7-methyl-9-[(4-phenylimidazol-1-yl)methyl]-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline?
The IUPAC name of (6aR,9R,10aR)-7-methyl-9-[(4-phenylimidazol-1-yl)methyl]-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline (CID 10430006) is (6aR,9R,10aR)-7-methyl-9-[(4-phenylimidazol-1-yl)methyl]-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline.
What is the SMILES notation for (6aR,9R,10aR)-7-methyl-9-[(4-phenylimidazol-1-yl)methyl]-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline?
The canonical SMILES for (6aR,9R,10aR)-7-methyl-9-[(4-phenylimidazol-1-yl)methyl]-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline is CN1C[C@H](Cn2cnc(-c3ccccc3)c2)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21.
What is the InChIKey of (6aR,9R,10aR)-7-methyl-9-[(4-phenylimidazol-1-yl)methyl]-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline?
The InChIKey is CYXDHGHIOWUWPM-NYQDVAGCSA-N. The full InChI is InChI=1S/C25H26N4/c1-28-13-17(14-29-15-23(27-16-29)18-6-3-2-4-7-18)10-21-20-8-5-9-22-25(20)19(12-26-22)11-24(21)28/h2-9,12,15-17,21,24,26H,10-11,13-14H2,1H3/t17-,21-,24-/m1/s1.
What are the key properties of (6aR,9R,10aR)-7-methyl-9-[(4-phenylimidazol-1-yl)methyl]-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline?
(6aR,9R,10aR)-7-methyl-9-[(4-phenylimidazol-1-yl)methyl]-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline has a molecular weight of 382.51 g/mol, XLogP of 4.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6aR,9R,10aR)-7-methyl-9-[(4-phenylimidazol-1-yl)methyl]-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline is sourced from PubChem (CID 10430006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).