N-(quinolin-3-ylmethyl)aniline

C16H14N2 — CID 12573835

IUPACN-(quinolin-3-ylmethyl)aniline
SMILESc1ccc(NCc2cnc3ccccc3c2)cc1
InChIInChI=1S/C16H14N2/c1-2-7-15(8-3-1)17-11-13-10-14-6-4-5-9-16(14)18-12-13/h1-10,12,17H,11H2
InChIKeyMGILBSXEULWFEC-UHFFFAOYSA-N
MW234.30 g/mol
LogP3.85
Rot. Bonds3

About N-(quinolin-3-ylmethyl)aniline

N-(quinolin-3-ylmethyl)aniline (PubChem CID 12573835) has the molecular formula C16H14N2 and a molecular weight of 234.30 g/mol. Its IUPAC name is N-(quinolin-3-ylmethyl)aniline.

Molecular Properties

Compound NameN-(quinolin-3-ylmethyl)aniline
PubChem CID12573835
Molecular FormulaC16H14N2
Molecular Weight234.30 g/mol
Exact Mass234.12
IUPAC NameN-(quinolin-3-ylmethyl)aniline
SMILESc1ccc(NCc2cnc3ccccc3c2)cc1
InChIInChI=1S/C16H14N2/c1-2-7-15(8-3-1)17-11-13-10-14-6-4-5-9-16(14)18-12-13/h1-10,12,17H,11H2
InChIKeyMGILBSXEULWFEC-UHFFFAOYSA-N
XLogP3.85
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(quinolin-3-ylmethyl)aniline?
The IUPAC name of N-(quinolin-3-ylmethyl)aniline (CID 12573835) is N-(quinolin-3-ylmethyl)aniline.
What is the SMILES notation for N-(quinolin-3-ylmethyl)aniline?
The canonical SMILES for N-(quinolin-3-ylmethyl)aniline is c1ccc(NCc2cnc3ccccc3c2)cc1.
What is the InChIKey of N-(quinolin-3-ylmethyl)aniline?
The InChIKey is MGILBSXEULWFEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2/c1-2-7-15(8-3-1)17-11-13-10-14-6-4-5-9-16(14)18-12-13/h1-10,12,17H,11H2.
What are the key properties of N-(quinolin-3-ylmethyl)aniline?
N-(quinolin-3-ylmethyl)aniline has a molecular weight of 234.30 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(quinolin-3-ylmethyl)aniline is sourced from PubChem (CID 12573835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).