6-(1H-indol-5-yl)-1-methyl-9H-pyrido[3,4-b]indole

C20H15N3 — CID 57336206

IUPAC6-(1H-indol-5-yl)-1-methyl-9H-pyrido[3,4-b]indole
SMILESCc1nccc2c1[nH]c1ccc(-c3ccc4[nH]ccc4c3)cc12
InChIInChI=1S/C20H15N3/c1-12-20-16(7-9-21-12)17-11-14(3-5-19(17)23-20)13-2-4-18-15(10-13)6-8-22-18/h2-11,22-23H,1H3
InChIKeyYNZNNRBRJOEOAY-UHFFFAOYSA-N
MW297.36 g/mol
LogP5.17
Rot. Bonds1

About 6-(1H-indol-5-yl)-1-methyl-9H-pyrido[3,4-b]indole

6-(1H-indol-5-yl)-1-methyl-9H-pyrido[3,4-b]indole (PubChem CID 57336206) has the molecular formula C20H15N3 and a molecular weight of 297.36 g/mol. Its IUPAC name is 6-(1H-indol-5-yl)-1-methyl-9H-pyrido[3,4-b]indole.

Molecular Properties

Compound Name6-(1H-indol-5-yl)-1-methyl-9H-pyrido[3,4-b]indole
PubChem CID57336206
Molecular FormulaC20H15N3
Molecular Weight297.36 g/mol
Exact Mass297.13
IUPAC Name6-(1H-indol-5-yl)-1-methyl-9H-pyrido[3,4-b]indole
SMILESCc1nccc2c1[nH]c1ccc(-c3ccc4[nH]ccc4c3)cc12
InChIInChI=1S/C20H15N3/c1-12-20-16(7-9-21-12)17-11-14(3-5-19(17)23-20)13-2-4-18-15(10-13)6-8-22-18/h2-11,22-23H,1H3
InChIKeyYNZNNRBRJOEOAY-UHFFFAOYSA-N
XLogP5.17
TPSA44.47 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.36
LogP ≤ 55.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-(1H-indol-5-yl)-1-methyl-9H-pyrido[3,4-b]indole?
The IUPAC name of 6-(1H-indol-5-yl)-1-methyl-9H-pyrido[3,4-b]indole (CID 57336206) is 6-(1H-indol-5-yl)-1-methyl-9H-pyrido[3,4-b]indole.
What is the SMILES notation for 6-(1H-indol-5-yl)-1-methyl-9H-pyrido[3,4-b]indole?
The canonical SMILES for 6-(1H-indol-5-yl)-1-methyl-9H-pyrido[3,4-b]indole is Cc1nccc2c1[nH]c1ccc(-c3ccc4[nH]ccc4c3)cc12.
What is the InChIKey of 6-(1H-indol-5-yl)-1-methyl-9H-pyrido[3,4-b]indole?
The InChIKey is YNZNNRBRJOEOAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3/c1-12-20-16(7-9-21-12)17-11-14(3-5-19(17)23-20)13-2-4-18-15(10-13)6-8-22-18/h2-11,22-23H,1H3.
What are the key properties of 6-(1H-indol-5-yl)-1-methyl-9H-pyrido[3,4-b]indole?
6-(1H-indol-5-yl)-1-methyl-9H-pyrido[3,4-b]indole has a molecular weight of 297.36 g/mol, XLogP of 5.17, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1H-indol-5-yl)-1-methyl-9H-pyrido[3,4-b]indole is sourced from PubChem (CID 57336206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).