(6R,11bR)-6-(2,3-dimethoxyphenyl)-3-oxo-2,5,6,11-tetrahydro-1H-indolizino[8,7-b]indole-11b-carboxylate

C23H21N2O5- — CID 2405385

IUPAC(6R,11bR)-6-(2,3-dimethoxyphenyl)-3-oxo-2,5,6,11-tetrahydro-1H-indolizino[8,7-b]indole-11b-carboxylate
SMILESCOc1cccc([C@@H]2CN3C(=O)CC[C@]3(C(=O)[O-])c3[nH]c4ccccc4c32)c1OC
InChIInChI=1S/C23H22N2O5/c1-29-17-9-5-7-13(20(17)30-2)15-12-25-18(26)10-11-23(25,22(27)28)21-19(15)14-6-3-4-8-16(14)24-21/h3-9,15,24H,10-12H2,1-2H3,(H,27,28)/p-1/t15-,23+/m0/s1
InChIKeyUKQVSVDIHMBIFM-NPMXOYFQSA-M
MW405.43 g/mol
LogP1.90
Rot. Bonds4

About (6R,11bR)-6-(2,3-dimethoxyphenyl)-3-oxo-2,5,6,11-tetrahydro-1H-indolizino[8,7-b]indole-11b-carboxylate

(6R,11bR)-6-(2,3-dimethoxyphenyl)-3-oxo-2,5,6,11-tetrahydro-1H-indolizino[8,7-b]indole-11b-carboxylate (PubChem CID 2405385) has the molecular formula C23H21N2O5- and a molecular weight of 405.43 g/mol. Its IUPAC name is (6R,11bR)-6-(2,3-dimethoxyphenyl)-3-oxo-2,5,6,11-tetrahydro-1H-indolizino[8,7-b]indole-11b-carboxylate.

Molecular Properties

Compound Name(6R,11bR)-6-(2,3-dimethoxyphenyl)-3-oxo-2,5,6,11-tetrahydro-1H-indolizino[8,7-b]indole-11b-carboxylate
PubChem CID2405385
Molecular FormulaC23H21N2O5-
Molecular Weight405.43 g/mol
Exact Mass405.15
IUPAC Name(6R,11bR)-6-(2,3-dimethoxyphenyl)-3-oxo-2,5,6,11-tetrahydro-1H-indolizino[8,7-b]indole-11b-carboxylate
SMILESCOc1cccc([C@@H]2CN3C(=O)CC[C@]3(C(=O)[O-])c3[nH]c4ccccc4c32)c1OC
InChIInChI=1S/C23H22N2O5/c1-29-17-9-5-7-13(20(17)30-2)15-12-25-18(26)10-11-23(25,22(27)28)21-19(15)14-6-3-4-8-16(14)24-21/h3-9,15,24H,10-12H2,1-2H3,(H,27,28)/p-1/t15-,23+/m0/s1
InChIKeyUKQVSVDIHMBIFM-NPMXOYFQSA-M
XLogP1.90
TPSA94.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.43
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (6R,11bR)-6-(2,3-dimethoxyphenyl)-3-oxo-2,5,6,11-tetrahydro-1H-indolizino[8,7-b]indole-11b-carboxylate with MolForge

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Related Compounds

(11bR)-3-oxo-2,5,6,11-tetrahydro-1H-indolizino[8,7-b]indole-11b-carboxylate
CID 2094166
4-(2,3-dimethoxyphenyl)spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,1'-cyclopentane]
CID 4851787
(3S,4'R)-4'-(2,3-dimethoxyphenyl)spiro[1,2-dihydroindene-3,1'-2,3,4,9-tetrahydropyrido[3,4-b]indole]
CID 8001502
(2S,8R)-8-(2-methoxyphenyl)-2-methyl-4-phenyl-4,6,16-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),10,12,14-tetraene-3,5-dione
CID 6574878
4-(2-chlorophenyl)-8-(2-methoxyphenyl)-2-methyl-4,6,16-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),10,12,14-tetraene-3,5-dione
CID 4835315
4-(2-hydroxy-2-phenylethyl)-9-(2-methoxyphenyl)-2-methyl-4,7,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),11,13,15-tetraene-3,6-dione
CID 4836115
(2S,8S)-8-(2-methoxyphenyl)-2-methyl-4-(4-methylphenyl)-4,6,16-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),10,12,14-tetraene-3,5-dione
CID 40824453
4-[(3,4-dimethoxyphenyl)methyl]-9-(2-methoxyphenyl)-2-methyl-4,7,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),11,13,15-tetraene-3,6-dione
CID 4836522
9-(2-ethoxy-3-methoxyphenyl)-2-methyl-4-(oxolan-2-ylmethyl)-4,7,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),11,13,15-tetraene-3,6-dione
CID 4835090
9-(2-methoxyphenyl)-2-methyl-4-(3-morpholin-4-ylpropyl)-4,7,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),11,13,15-tetraene-3,6-dione
CID 4836532
9-(2-methoxyphenyl)-4-[2-(4-methoxyphenyl)ethyl]-2-methyl-4,7,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),11,13,15-tetraene-3,6-dione
CID 4834387
4-[2-(4-chlorophenyl)ethyl]-9-(2-methoxyphenyl)-2-methyl-4,7,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),11,13,15-tetraene-3,6-dione
CID 4835173

Frequently Asked Questions

What is the IUPAC name of (6R,11bR)-6-(2,3-dimethoxyphenyl)-3-oxo-2,5,6,11-tetrahydro-1H-indolizino[8,7-b]indole-11b-carboxylate?
The IUPAC name of (6R,11bR)-6-(2,3-dimethoxyphenyl)-3-oxo-2,5,6,11-tetrahydro-1H-indolizino[8,7-b]indole-11b-carboxylate (CID 2405385) is (6R,11bR)-6-(2,3-dimethoxyphenyl)-3-oxo-2,5,6,11-tetrahydro-1H-indolizino[8,7-b]indole-11b-carboxylate.
What is the SMILES notation for (6R,11bR)-6-(2,3-dimethoxyphenyl)-3-oxo-2,5,6,11-tetrahydro-1H-indolizino[8,7-b]indole-11b-carboxylate?
The canonical SMILES for (6R,11bR)-6-(2,3-dimethoxyphenyl)-3-oxo-2,5,6,11-tetrahydro-1H-indolizino[8,7-b]indole-11b-carboxylate is COc1cccc([C@@H]2CN3C(=O)CC[C@]3(C(=O)[O-])c3[nH]c4ccccc4c32)c1OC.
What is the InChIKey of (6R,11bR)-6-(2,3-dimethoxyphenyl)-3-oxo-2,5,6,11-tetrahydro-1H-indolizino[8,7-b]indole-11b-carboxylate?
The InChIKey is UKQVSVDIHMBIFM-NPMXOYFQSA-M. The full InChI is InChI=1S/C23H22N2O5/c1-29-17-9-5-7-13(20(17)30-2)15-12-25-18(26)10-11-23(25,22(27)28)21-19(15)14-6-3-4-8-16(14)24-21/h3-9,15,24H,10-12H2,1-2H3,(H,27,28)/p-1/t15-,23+/m0/s1.
What are the key properties of (6R,11bR)-6-(2,3-dimethoxyphenyl)-3-oxo-2,5,6,11-tetrahydro-1H-indolizino[8,7-b]indole-11b-carboxylate?
(6R,11bR)-6-(2,3-dimethoxyphenyl)-3-oxo-2,5,6,11-tetrahydro-1H-indolizino[8,7-b]indole-11b-carboxylate has a molecular weight of 405.43 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,11bR)-6-(2,3-dimethoxyphenyl)-3-oxo-2,5,6,11-tetrahydro-1H-indolizino[8,7-b]indole-11b-carboxylate is sourced from PubChem (CID 2405385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).