3-methylspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,3'-indole]

C19H17N3 — CID 158910339

IUPAC3-methylspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,3'-indole]
SMILESCC1Cc2c([nH]c3ccccc23)C2(C=Nc3ccccc32)N1
InChIInChI=1S/C19H17N3/c1-12-10-14-13-6-2-4-8-16(13)21-18(14)19(22-12)11-20-17-9-5-3-7-15(17)19/h2-9,11-12,21-22H,10H2,1H3
InChIKeyJGOJYSZIOPUCHI-UHFFFAOYSA-N
MW287.37 g/mol
LogP3.66
Rot. Bonds

About 3-methylspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,3'-indole]

3-methylspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,3'-indole] (PubChem CID 158910339) has the molecular formula C19H17N3 and a molecular weight of 287.37 g/mol. Its IUPAC name is 3-methylspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,3'-indole].

Molecular Properties

Compound Name3-methylspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,3'-indole]
PubChem CID158910339
Molecular FormulaC19H17N3
Molecular Weight287.37 g/mol
Exact Mass287.14
IUPAC Name3-methylspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,3'-indole]
SMILESCC1Cc2c([nH]c3ccccc23)C2(C=Nc3ccccc32)N1
InChIInChI=1S/C19H17N3/c1-12-10-14-13-6-2-4-8-16(13)21-18(14)19(22-12)11-20-17-9-5-3-7-15(17)19/h2-9,11-12,21-22H,10H2,1H3
InChIKeyJGOJYSZIOPUCHI-UHFFFAOYSA-N
XLogP3.66
TPSA40.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methylspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,3'-indole]?
The IUPAC name of 3-methylspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,3'-indole] (CID 158910339) is 3-methylspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,3'-indole].
What is the SMILES notation for 3-methylspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,3'-indole]?
The canonical SMILES for 3-methylspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,3'-indole] is CC1Cc2c([nH]c3ccccc23)C2(C=Nc3ccccc32)N1.
What is the InChIKey of 3-methylspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,3'-indole]?
The InChIKey is JGOJYSZIOPUCHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3/c1-12-10-14-13-6-2-4-8-16(13)21-18(14)19(22-12)11-20-17-9-5-3-7-15(17)19/h2-9,11-12,21-22H,10H2,1H3.
What are the key properties of 3-methylspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,3'-indole]?
3-methylspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,3'-indole] has a molecular weight of 287.37 g/mol, XLogP of 3.66, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,3'-indole] is sourced from PubChem (CID 158910339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).