3-[2-(1H-indol-2-yl)ethyl]-6-(2-methylphenyl)quinolin-2-amine

C26H23N3 — CID 53239331

IUPAC3-[2-(1H-indol-2-yl)ethyl]-6-(2-methylphenyl)quinolin-2-amine
SMILESCc1ccccc1-c1ccc2nc(N)c(CCc3cc4ccccc4[nH]3)cc2c1
InChIInChI=1S/C26H23N3/c1-17-6-2-4-8-23(17)18-11-13-25-21(14-18)15-20(26(27)29-25)10-12-22-16-19-7-3-5-9-24(19)28-22/h2-9,11,13-16,28H,10,12H2,1H3,(H2,27,29)
InChIKeyPQZRYBAGHWWJPM-UHFFFAOYSA-N
MW377.49 g/mol
LogP6.06
Rot. Bonds4

About 3-[2-(1H-indol-2-yl)ethyl]-6-(2-methylphenyl)quinolin-2-amine

3-[2-(1H-indol-2-yl)ethyl]-6-(2-methylphenyl)quinolin-2-amine (PubChem CID 53239331) has the molecular formula C26H23N3 and a molecular weight of 377.49 g/mol. Its IUPAC name is 3-[2-(1H-indol-2-yl)ethyl]-6-(2-methylphenyl)quinolin-2-amine.

Molecular Properties

Compound Name3-[2-(1H-indol-2-yl)ethyl]-6-(2-methylphenyl)quinolin-2-amine
PubChem CID53239331
Molecular FormulaC26H23N3
Molecular Weight377.49 g/mol
Exact Mass377.19
IUPAC Name3-[2-(1H-indol-2-yl)ethyl]-6-(2-methylphenyl)quinolin-2-amine
SMILESCc1ccccc1-c1ccc2nc(N)c(CCc3cc4ccccc4[nH]3)cc2c1
InChIInChI=1S/C26H23N3/c1-17-6-2-4-8-23(17)18-11-13-25-21(14-18)15-20(26(27)29-25)10-12-22-16-19-7-3-5-9-24(19)28-22/h2-9,11,13-16,28H,10,12H2,1H3,(H2,27,29)
InChIKeyPQZRYBAGHWWJPM-UHFFFAOYSA-N
XLogP6.06
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.49
LogP ≤ 56.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(1H-indol-2-yl)ethyl]-6-(2-methylphenyl)quinolin-2-amine?
The IUPAC name of 3-[2-(1H-indol-2-yl)ethyl]-6-(2-methylphenyl)quinolin-2-amine (CID 53239331) is 3-[2-(1H-indol-2-yl)ethyl]-6-(2-methylphenyl)quinolin-2-amine.
What is the SMILES notation for 3-[2-(1H-indol-2-yl)ethyl]-6-(2-methylphenyl)quinolin-2-amine?
The canonical SMILES for 3-[2-(1H-indol-2-yl)ethyl]-6-(2-methylphenyl)quinolin-2-amine is Cc1ccccc1-c1ccc2nc(N)c(CCc3cc4ccccc4[nH]3)cc2c1.
What is the InChIKey of 3-[2-(1H-indol-2-yl)ethyl]-6-(2-methylphenyl)quinolin-2-amine?
The InChIKey is PQZRYBAGHWWJPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3/c1-17-6-2-4-8-23(17)18-11-13-25-21(14-18)15-20(26(27)29-25)10-12-22-16-19-7-3-5-9-24(19)28-22/h2-9,11,13-16,28H,10,12H2,1H3,(H2,27,29).
What are the key properties of 3-[2-(1H-indol-2-yl)ethyl]-6-(2-methylphenyl)quinolin-2-amine?
3-[2-(1H-indol-2-yl)ethyl]-6-(2-methylphenyl)quinolin-2-amine has a molecular weight of 377.49 g/mol, XLogP of 6.06, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1H-indol-2-yl)ethyl]-6-(2-methylphenyl)quinolin-2-amine is sourced from PubChem (CID 53239331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).