9-(2-phenylethyl)pyrido[3,4-b]indole

C19H16N2 — CID 162417840

IUPAC9-(2-phenylethyl)pyrido[3,4-b]indole
SMILESc1ccc(CCn2c3ccccc3c3ccncc32)cc1
InChIInChI=1S/C19H16N2/c1-2-6-15(7-3-1)11-13-21-18-9-5-4-8-16(18)17-10-12-20-14-19(17)21/h1-10,12,14H,11,13H2
InChIKeyMCPRSRMRWSYGJU-UHFFFAOYSA-N
MW272.35 g/mol
LogP4.43
Rot. Bonds3

About 9-(2-phenylethyl)pyrido[3,4-b]indole

9-(2-phenylethyl)pyrido[3,4-b]indole (PubChem CID 162417840) has the molecular formula C19H16N2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 9-(2-phenylethyl)pyrido[3,4-b]indole.

Molecular Properties

Compound Name9-(2-phenylethyl)pyrido[3,4-b]indole
PubChem CID162417840
Molecular FormulaC19H16N2
Molecular Weight272.35 g/mol
Exact Mass272.13
IUPAC Name9-(2-phenylethyl)pyrido[3,4-b]indole
SMILESc1ccc(CCn2c3ccccc3c3ccncc32)cc1
InChIInChI=1S/C19H16N2/c1-2-6-15(7-3-1)11-13-21-18-9-5-4-8-16(18)17-10-12-20-14-19(17)21/h1-10,12,14H,11,13H2
InChIKeyMCPRSRMRWSYGJU-UHFFFAOYSA-N
XLogP4.43
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-(2-phenylethyl)pyrido[3,4-b]indole?
The IUPAC name of 9-(2-phenylethyl)pyrido[3,4-b]indole (CID 162417840) is 9-(2-phenylethyl)pyrido[3,4-b]indole.
What is the SMILES notation for 9-(2-phenylethyl)pyrido[3,4-b]indole?
The canonical SMILES for 9-(2-phenylethyl)pyrido[3,4-b]indole is c1ccc(CCn2c3ccccc3c3ccncc32)cc1.
What is the InChIKey of 9-(2-phenylethyl)pyrido[3,4-b]indole?
The InChIKey is MCPRSRMRWSYGJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2/c1-2-6-15(7-3-1)11-13-21-18-9-5-4-8-16(18)17-10-12-20-14-19(17)21/h1-10,12,14H,11,13H2.
What are the key properties of 9-(2-phenylethyl)pyrido[3,4-b]indole?
9-(2-phenylethyl)pyrido[3,4-b]indole has a molecular weight of 272.35 g/mol, XLogP of 4.43, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-phenylethyl)pyrido[3,4-b]indole is sourced from PubChem (CID 162417840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).