4-methyl-8b-(4-methyl-1,2,3,3a-tetrahydropyrrolo[2,3-b]indol-8b-yl)-1,2,3,3a-tetrahydropyrrolo[2,3-b]indole

C22H26N4 — CID 162970300

IUPAC4-methyl-8b-(4-methyl-1,2,3,3a-tetrahydropyrrolo[2,3-b]indol-8b-yl)-1,2,3,3a-tetrahydropyrrolo[2,3-b]indole
SMILESCN1c2ccccc2C2(C34CCNC3N(C)c3ccccc34)CCNC12
InChIInChI=1S/C22H26N4/c1-25-17-9-5-3-7-15(17)21(11-13-23-19(21)25)22-12-14-24-20(22)26(2)18-10-6-4-8-16(18)22/h3-10,19-20,23-24H,11-14H2,1-2H3
InChIKeyJKUVEXHEQZKNSO-UHFFFAOYSA-N
MW346.48 g/mol
LogP2.40
Rot. Bonds1

About 4-methyl-8b-(4-methyl-1,2,3,3a-tetrahydropyrrolo[2,3-b]indol-8b-yl)-1,2,3,3a-tetrahydropyrrolo[2,3-b]indole

4-methyl-8b-(4-methyl-1,2,3,3a-tetrahydropyrrolo[2,3-b]indol-8b-yl)-1,2,3,3a-tetrahydropyrrolo[2,3-b]indole (PubChem CID 162970300) has the molecular formula C22H26N4 and a molecular weight of 346.48 g/mol. Its IUPAC name is 4-methyl-8b-(4-methyl-1,2,3,3a-tetrahydropyrrolo[2,3-b]indol-8b-yl)-1,2,3,3a-tetrahydropyrrolo[2,3-b]indole.

Molecular Properties

Compound Name4-methyl-8b-(4-methyl-1,2,3,3a-tetrahydropyrrolo[2,3-b]indol-8b-yl)-1,2,3,3a-tetrahydropyrrolo[2,3-b]indole
PubChem CID162970300
Molecular FormulaC22H26N4
Molecular Weight346.48 g/mol
Exact Mass346.22
IUPAC Name4-methyl-8b-(4-methyl-1,2,3,3a-tetrahydropyrrolo[2,3-b]indol-8b-yl)-1,2,3,3a-tetrahydropyrrolo[2,3-b]indole
SMILESCN1c2ccccc2C2(C34CCNC3N(C)c3ccccc34)CCNC12
InChIInChI=1S/C22H26N4/c1-25-17-9-5-3-7-15(17)21(11-13-23-19(21)25)22-12-14-24-20(22)26(2)18-10-6-4-8-16(18)22/h3-10,19-20,23-24H,11-14H2,1-2H3
InChIKeyJKUVEXHEQZKNSO-UHFFFAOYSA-N
XLogP2.40
TPSA30.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3aR,8bS)-8b-[(3aR,8bS)-4-methyl-1,2,3,3a-tetrahydropyrrolo[2,3-b]indol-8b-yl]-4-methyl-1,2,3,3a-tetrahydropyrrolo[2,3-b]indole
CID 15459547
(8bS)-8b-[(8bR)-2,3,3a,4-tetrahydro-1H-pyrrolo[2,3-b]indol-8b-yl]-3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indole
CID 100973102
(1S,8bR)-1,4,8b-trimethyl-1-phenyl-3,3a-dihydro-2H-pyrrolo[2,3-b]indole
CID 134962187
1-methylspiro[2H-indole-3,1'-cyclopentane]-2-carbonitrile
CID 10330820
(1R,5S,13S)-9,10-dimethoxy-14-methyl-4,14-diazapentacyclo[11.7.0.01,5.07,12.015,20]icosa-7,9,11,15,17,19-hexaene
CID 71729121
3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indole
CID 13000841
(4aS,9aS)-4a-methyl-9-phenyl-2,3,4,9a-tetrahydro-1H-pyrido[2,3-b]indole
CID 125482309
4,6,10b-trimethyl-5a,11-dihydro-5H-indolo[2,3-b]quinoline
CID 72663407
1-(2'-deuterio-1'-methylspiro[cyclopropane-1,3'-indole]-2'-yl)ethanone
CID 175752740
2,4,9,9,9a-pentamethyl-3aH-furo[3,2-b]quinolin-3-amine
CID 134560753
(2'R,3R)-2'-(4-hydroxyphenyl)-1-methylspiro[indole-3,3'-pyrrolidine]-2-one
CID 7032098
(3S)-1-methylspiro[indole-3,3'-piperidine]-2-one
CID 95187712

Frequently Asked Questions

What is the IUPAC name of 4-methyl-8b-(4-methyl-1,2,3,3a-tetrahydropyrrolo[2,3-b]indol-8b-yl)-1,2,3,3a-tetrahydropyrrolo[2,3-b]indole?
The IUPAC name of 4-methyl-8b-(4-methyl-1,2,3,3a-tetrahydropyrrolo[2,3-b]indol-8b-yl)-1,2,3,3a-tetrahydropyrrolo[2,3-b]indole (CID 162970300) is 4-methyl-8b-(4-methyl-1,2,3,3a-tetrahydropyrrolo[2,3-b]indol-8b-yl)-1,2,3,3a-tetrahydropyrrolo[2,3-b]indole.
What is the SMILES notation for 4-methyl-8b-(4-methyl-1,2,3,3a-tetrahydropyrrolo[2,3-b]indol-8b-yl)-1,2,3,3a-tetrahydropyrrolo[2,3-b]indole?
The canonical SMILES for 4-methyl-8b-(4-methyl-1,2,3,3a-tetrahydropyrrolo[2,3-b]indol-8b-yl)-1,2,3,3a-tetrahydropyrrolo[2,3-b]indole is CN1c2ccccc2C2(C34CCNC3N(C)c3ccccc34)CCNC12.
What is the InChIKey of 4-methyl-8b-(4-methyl-1,2,3,3a-tetrahydropyrrolo[2,3-b]indol-8b-yl)-1,2,3,3a-tetrahydropyrrolo[2,3-b]indole?
The InChIKey is JKUVEXHEQZKNSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4/c1-25-17-9-5-3-7-15(17)21(11-13-23-19(21)25)22-12-14-24-20(22)26(2)18-10-6-4-8-16(18)22/h3-10,19-20,23-24H,11-14H2,1-2H3.
What are the key properties of 4-methyl-8b-(4-methyl-1,2,3,3a-tetrahydropyrrolo[2,3-b]indol-8b-yl)-1,2,3,3a-tetrahydropyrrolo[2,3-b]indole?
4-methyl-8b-(4-methyl-1,2,3,3a-tetrahydropyrrolo[2,3-b]indol-8b-yl)-1,2,3,3a-tetrahydropyrrolo[2,3-b]indole has a molecular weight of 346.48 g/mol, XLogP of 2.40, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-8b-(4-methyl-1,2,3,3a-tetrahydropyrrolo[2,3-b]indol-8b-yl)-1,2,3,3a-tetrahydropyrrolo[2,3-b]indole is sourced from PubChem (CID 162970300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).