2-methyl-4-[3-(1-methylindol-3-yl)phenyl]quinoline

C25H20N2 — CID 162676931

IUPAC2-methyl-4-[3-(1-methylindol-3-yl)phenyl]quinoline
SMILESCc1cc(-c2cccc(-c3cn(C)c4ccccc34)c2)c2ccccc2n1
InChIInChI=1S/C25H20N2/c1-17-14-22(20-10-3-5-12-24(20)26-17)18-8-7-9-19(15-18)23-16-27(2)25-13-6-4-11-21(23)25/h3-16H,1-2H3
InChIKeyBJQCYJAYSSKVHI-UHFFFAOYSA-N
MW348.45 g/mol
LogP6.37
Rot. Bonds2

About 2-methyl-4-[3-(1-methylindol-3-yl)phenyl]quinoline

2-methyl-4-[3-(1-methylindol-3-yl)phenyl]quinoline (PubChem CID 162676931) has the molecular formula C25H20N2 and a molecular weight of 348.45 g/mol. Its IUPAC name is 2-methyl-4-[3-(1-methylindol-3-yl)phenyl]quinoline.

Molecular Properties

Compound Name2-methyl-4-[3-(1-methylindol-3-yl)phenyl]quinoline
PubChem CID162676931
Molecular FormulaC25H20N2
Molecular Weight348.45 g/mol
Exact Mass348.16
IUPAC Name2-methyl-4-[3-(1-methylindol-3-yl)phenyl]quinoline
SMILESCc1cc(-c2cccc(-c3cn(C)c4ccccc34)c2)c2ccccc2n1
InChIInChI=1S/C25H20N2/c1-17-14-22(20-10-3-5-12-24(20)26-17)18-8-7-9-19(15-18)23-16-27(2)25-13-6-4-11-21(23)25/h3-16H,1-2H3
InChIKeyBJQCYJAYSSKVHI-UHFFFAOYSA-N
XLogP6.37
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.45
LogP ≤ 56.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[3-(1-methylindol-3-yl)phenyl]quinoline?
The IUPAC name of 2-methyl-4-[3-(1-methylindol-3-yl)phenyl]quinoline (CID 162676931) is 2-methyl-4-[3-(1-methylindol-3-yl)phenyl]quinoline.
What is the SMILES notation for 2-methyl-4-[3-(1-methylindol-3-yl)phenyl]quinoline?
The canonical SMILES for 2-methyl-4-[3-(1-methylindol-3-yl)phenyl]quinoline is Cc1cc(-c2cccc(-c3cn(C)c4ccccc34)c2)c2ccccc2n1.
What is the InChIKey of 2-methyl-4-[3-(1-methylindol-3-yl)phenyl]quinoline?
The InChIKey is BJQCYJAYSSKVHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N2/c1-17-14-22(20-10-3-5-12-24(20)26-17)18-8-7-9-19(15-18)23-16-27(2)25-13-6-4-11-21(23)25/h3-16H,1-2H3.
What are the key properties of 2-methyl-4-[3-(1-methylindol-3-yl)phenyl]quinoline?
2-methyl-4-[3-(1-methylindol-3-yl)phenyl]quinoline has a molecular weight of 348.45 g/mol, XLogP of 6.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[3-(1-methylindol-3-yl)phenyl]quinoline is sourced from PubChem (CID 162676931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).