methyl (6aR)-7-(cyclopropylmethyl)-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxylate

C20H22N2O2 — CID 57180445

IUPACmethyl (6aR)-7-(cyclopropylmethyl)-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxylate
SMILESCOC(=O)C1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(CC2CC2)C1
InChIInChI=1S/C20H22N2O2/c1-24-20(23)14-7-16-15-3-2-4-17-19(15)13(9-21-17)8-18(16)22(11-14)10-12-5-6-12/h2-4,7,9,12,14,18,21H,5-6,8,10-11H2,1H3/t14?,18-/m1/s1
InChIKeyUJGNROGECCDUFK-XPKAQORNSA-N
MW322.41 g/mol
LogP2.99
Rot. Bonds3

About methyl (6aR)-7-(cyclopropylmethyl)-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxylate

methyl (6aR)-7-(cyclopropylmethyl)-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxylate (PubChem CID 57180445) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is methyl (6aR)-7-(cyclopropylmethyl)-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxylate.

Molecular Properties

Compound Namemethyl (6aR)-7-(cyclopropylmethyl)-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxylate
PubChem CID57180445
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Namemethyl (6aR)-7-(cyclopropylmethyl)-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxylate
SMILESCOC(=O)C1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(CC2CC2)C1
InChIInChI=1S/C20H22N2O2/c1-24-20(23)14-7-16-15-3-2-4-17-19(15)13(9-21-17)8-18(16)22(11-14)10-12-5-6-12/h2-4,7,9,12,14,18,21H,5-6,8,10-11H2,1H3/t14?,18-/m1/s1
InChIKeyUJGNROGECCDUFK-XPKAQORNSA-N
XLogP2.99
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl (6aR)-7-(cyclopropylmethyl)-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxylate 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 methyl (6aR)-7-(cyclopropylmethyl)-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxylate?
The IUPAC name of methyl (6aR)-7-(cyclopropylmethyl)-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxylate (CID 57180445) is methyl (6aR)-7-(cyclopropylmethyl)-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxylate.
What is the SMILES notation for methyl (6aR)-7-(cyclopropylmethyl)-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxylate?
The canonical SMILES for methyl (6aR)-7-(cyclopropylmethyl)-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxylate is COC(=O)C1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(CC2CC2)C1.
What is the InChIKey of methyl (6aR)-7-(cyclopropylmethyl)-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxylate?
The InChIKey is UJGNROGECCDUFK-XPKAQORNSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-24-20(23)14-7-16-15-3-2-4-17-19(15)13(9-21-17)8-18(16)22(11-14)10-12-5-6-12/h2-4,7,9,12,14,18,21H,5-6,8,10-11H2,1H3/t14?,18-/m1/s1.
What are the key properties of methyl (6aR)-7-(cyclopropylmethyl)-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxylate?
methyl (6aR)-7-(cyclopropylmethyl)-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxylate has a molecular weight of 322.41 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (6aR)-7-(cyclopropylmethyl)-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxylate is sourced from PubChem (CID 57180445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).