4-methyl-N-(quinolin-8-ylmethyl)aniline

C17H16N2 — CID 28619601

IUPAC4-methyl-N-(quinolin-8-ylmethyl)aniline
SMILESCc1ccc(NCc2cccc3cccnc23)cc1
InChIInChI=1S/C17H16N2/c1-13-7-9-16(10-8-13)19-12-15-5-2-4-14-6-3-11-18-17(14)15/h2-11,19H,12H2,1H3
InChIKeyMFMLMVFGFBJBLU-UHFFFAOYSA-N
MW248.33 g/mol
LogP4.16
Rot. Bonds3

About 4-methyl-N-(quinolin-8-ylmethyl)aniline

4-methyl-N-(quinolin-8-ylmethyl)aniline (PubChem CID 28619601) has the molecular formula C17H16N2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 4-methyl-N-(quinolin-8-ylmethyl)aniline.

Molecular Properties

Compound Name4-methyl-N-(quinolin-8-ylmethyl)aniline
PubChem CID28619601
Molecular FormulaC17H16N2
Molecular Weight248.33 g/mol
Exact Mass248.13
IUPAC Name4-methyl-N-(quinolin-8-ylmethyl)aniline
SMILESCc1ccc(NCc2cccc3cccnc23)cc1
InChIInChI=1S/C17H16N2/c1-13-7-9-16(10-8-13)19-12-15-5-2-4-14-6-3-11-18-17(14)15/h2-11,19H,12H2,1H3
InChIKeyMFMLMVFGFBJBLU-UHFFFAOYSA-N
XLogP4.16
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(quinolin-8-ylmethyl)aniline?
The IUPAC name of 4-methyl-N-(quinolin-8-ylmethyl)aniline (CID 28619601) is 4-methyl-N-(quinolin-8-ylmethyl)aniline.
What is the SMILES notation for 4-methyl-N-(quinolin-8-ylmethyl)aniline?
The canonical SMILES for 4-methyl-N-(quinolin-8-ylmethyl)aniline is Cc1ccc(NCc2cccc3cccnc23)cc1.
What is the InChIKey of 4-methyl-N-(quinolin-8-ylmethyl)aniline?
The InChIKey is MFMLMVFGFBJBLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2/c1-13-7-9-16(10-8-13)19-12-15-5-2-4-14-6-3-11-18-17(14)15/h2-11,19H,12H2,1H3.
What are the key properties of 4-methyl-N-(quinolin-8-ylmethyl)aniline?
4-methyl-N-(quinolin-8-ylmethyl)aniline has a molecular weight of 248.33 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(quinolin-8-ylmethyl)aniline is sourced from PubChem (CID 28619601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).