(6aR,10aR)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-5,9-dicarboxamide

C17H20N4O2 — CID 70536326

IUPAC(6aR,10aR)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-5,9-dicarboxamide
SMILESCN1CC(C(N)=O)C[C@@H]2c3cccc4[nH]c(C(N)=O)c(c34)C[C@H]21
InChIInChI=1S/C17H20N4O2/c1-21-7-8(16(18)22)5-10-9-3-2-4-12-14(9)11(6-13(10)21)15(20-12)17(19)23/h2-4,8,10,13,20H,5-7H2,1H3,(H2,18,22)(H2,19,23)/t8?,10-,13-/m1/s1
InChIKeyFKHMUZMUEHGUGW-KHQYTQLFSA-N
MW312.37 g/mol
LogP0.71
Rot. Bonds2

About (6aR,10aR)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-5,9-dicarboxamide

(6aR,10aR)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-5,9-dicarboxamide (PubChem CID 70536326) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is (6aR,10aR)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-5,9-dicarboxamide.

Molecular Properties

Compound Name(6aR,10aR)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-5,9-dicarboxamide
PubChem CID70536326
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name(6aR,10aR)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-5,9-dicarboxamide
SMILESCN1CC(C(N)=O)C[C@@H]2c3cccc4[nH]c(C(N)=O)c(c34)C[C@H]21
InChIInChI=1S/C17H20N4O2/c1-21-7-8(16(18)22)5-10-9-3-2-4-12-14(9)11(6-13(10)21)15(20-12)17(19)23/h2-4,8,10,13,20H,5-7H2,1H3,(H2,18,22)(H2,19,23)/t8?,10-,13-/m1/s1
InChIKeyFKHMUZMUEHGUGW-KHQYTQLFSA-N
XLogP0.71
TPSA105.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (6aR,10aR)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-5,9-dicarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (6aR,10aR)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-5,9-dicarboxamide?
The IUPAC name of (6aR,10aR)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-5,9-dicarboxamide (CID 70536326) is (6aR,10aR)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-5,9-dicarboxamide.
What is the SMILES notation for (6aR,10aR)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-5,9-dicarboxamide?
The canonical SMILES for (6aR,10aR)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-5,9-dicarboxamide is CN1CC(C(N)=O)C[C@@H]2c3cccc4[nH]c(C(N)=O)c(c34)C[C@H]21.
What is the InChIKey of (6aR,10aR)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-5,9-dicarboxamide?
The InChIKey is FKHMUZMUEHGUGW-KHQYTQLFSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-21-7-8(16(18)22)5-10-9-3-2-4-12-14(9)11(6-13(10)21)15(20-12)17(19)23/h2-4,8,10,13,20H,5-7H2,1H3,(H2,18,22)(H2,19,23)/t8?,10-,13-/m1/s1.
What are the key properties of (6aR,10aR)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-5,9-dicarboxamide?
(6aR,10aR)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-5,9-dicarboxamide has a molecular weight of 312.37 g/mol, XLogP of 0.71, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6aR,10aR)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-5,9-dicarboxamide is sourced from PubChem (CID 70536326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).