[(6aR,9R)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methyl N-[2-(1H-indol-3-yl)ethyl]carbamate

C27H30N4O2 — CID 22788409

IUPAC[(6aR,9R)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methyl N-[2-(1H-indol-3-yl)ethyl]carbamate
SMILESCN1C[C@H](COC(=O)NCCc2c[nH]c3ccccc23)CC2c3cccc4[nH]cc(c34)C[C@H]21
InChIInChI=1S/C27H30N4O2/c1-31-15-17(11-22-21-6-4-8-24-26(21)19(14-30-24)12-25(22)31)16-33-27(32)28-10-9-18-13-29-23-7-3-2-5-20(18)23/h2-8,13-14,17,22,25,29-30H,9-12,15-16H2,1H3,(H,28,32)/t17-,22?,25-/m1/s1
InChIKeyQRMXDMPTQGIGBA-FOBFEARMSA-N
MW442.56 g/mol
LogP4.58
Rot. Bonds5

About [(6aR,9R)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methyl N-[2-(1H-indol-3-yl)ethyl]carbamate

[(6aR,9R)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methyl N-[2-(1H-indol-3-yl)ethyl]carbamate (PubChem CID 22788409) has the molecular formula C27H30N4O2 and a molecular weight of 442.56 g/mol. Its IUPAC name is [(6aR,9R)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methyl N-[2-(1H-indol-3-yl)ethyl]carbamate.

Molecular Properties

Compound Name[(6aR,9R)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methyl N-[2-(1H-indol-3-yl)ethyl]carbamate
PubChem CID22788409
Molecular FormulaC27H30N4O2
Molecular Weight442.56 g/mol
Exact Mass442.24
IUPAC Name[(6aR,9R)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methyl N-[2-(1H-indol-3-yl)ethyl]carbamate
SMILESCN1C[C@H](COC(=O)NCCc2c[nH]c3ccccc23)CC2c3cccc4[nH]cc(c34)C[C@H]21
InChIInChI=1S/C27H30N4O2/c1-31-15-17(11-22-21-6-4-8-24-26(21)19(14-30-24)12-25(22)31)16-33-27(32)28-10-9-18-13-29-23-7-3-2-5-20(18)23/h2-8,13-14,17,22,25,29-30H,9-12,15-16H2,1H3,(H,28,32)/t17-,22?,25-/m1/s1
InChIKeyQRMXDMPTQGIGBA-FOBFEARMSA-N
XLogP4.58
TPSA73.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.56
LogP ≤ 54.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze [(6aR,9R)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methyl N-[2-(1H-indol-3-yl)ethyl]carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(6aR,9R)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methyl N-[2-(1H-indol-3-yl)ethyl]carbamate?
The IUPAC name of [(6aR,9R)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methyl N-[2-(1H-indol-3-yl)ethyl]carbamate (CID 22788409) is [(6aR,9R)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methyl N-[2-(1H-indol-3-yl)ethyl]carbamate.
What is the SMILES notation for [(6aR,9R)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methyl N-[2-(1H-indol-3-yl)ethyl]carbamate?
The canonical SMILES for [(6aR,9R)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methyl N-[2-(1H-indol-3-yl)ethyl]carbamate is CN1C[C@H](COC(=O)NCCc2c[nH]c3ccccc23)CC2c3cccc4[nH]cc(c34)C[C@H]21.
What is the InChIKey of [(6aR,9R)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methyl N-[2-(1H-indol-3-yl)ethyl]carbamate?
The InChIKey is QRMXDMPTQGIGBA-FOBFEARMSA-N. The full InChI is InChI=1S/C27H30N4O2/c1-31-15-17(11-22-21-6-4-8-24-26(21)19(14-30-24)12-25(22)31)16-33-27(32)28-10-9-18-13-29-23-7-3-2-5-20(18)23/h2-8,13-14,17,22,25,29-30H,9-12,15-16H2,1H3,(H,28,32)/t17-,22?,25-/m1/s1.
What are the key properties of [(6aR,9R)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methyl N-[2-(1H-indol-3-yl)ethyl]carbamate?
[(6aR,9R)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methyl N-[2-(1H-indol-3-yl)ethyl]carbamate has a molecular weight of 442.56 g/mol, XLogP of 4.58, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(6aR,9R)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methyl N-[2-(1H-indol-3-yl)ethyl]carbamate is sourced from PubChem (CID 22788409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).