3-methyl-4-quinolin-7-ylaniline

C16H14N2 — CID 81224279

IUPAC3-methyl-4-quinolin-7-ylaniline
SMILESCc1cc(N)ccc1-c1ccc2cccnc2c1
InChIInChI=1S/C16H14N2/c1-11-9-14(17)6-7-15(11)13-5-4-12-3-2-8-18-16(12)10-13/h2-10H,17H2,1H3
InChIKeyRRRMENZJRQUHPS-UHFFFAOYSA-N
MW234.30 g/mol
LogP3.79
Rot. Bonds1

About 3-methyl-4-quinolin-7-ylaniline

3-methyl-4-quinolin-7-ylaniline (PubChem CID 81224279) has the molecular formula C16H14N2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 3-methyl-4-quinolin-7-ylaniline.

Molecular Properties

Compound Name3-methyl-4-quinolin-7-ylaniline
PubChem CID81224279
Molecular FormulaC16H14N2
Molecular Weight234.30 g/mol
Exact Mass234.12
IUPAC Name3-methyl-4-quinolin-7-ylaniline
SMILESCc1cc(N)ccc1-c1ccc2cccnc2c1
InChIInChI=1S/C16H14N2/c1-11-9-14(17)6-7-15(11)13-5-4-12-3-2-8-18-16(12)10-13/h2-10H,17H2,1H3
InChIKeyRRRMENZJRQUHPS-UHFFFAOYSA-N
XLogP3.79
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-quinolin-7-ylaniline?
The IUPAC name of 3-methyl-4-quinolin-7-ylaniline (CID 81224279) is 3-methyl-4-quinolin-7-ylaniline.
What is the SMILES notation for 3-methyl-4-quinolin-7-ylaniline?
The canonical SMILES for 3-methyl-4-quinolin-7-ylaniline is Cc1cc(N)ccc1-c1ccc2cccnc2c1.
What is the InChIKey of 3-methyl-4-quinolin-7-ylaniline?
The InChIKey is RRRMENZJRQUHPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2/c1-11-9-14(17)6-7-15(11)13-5-4-12-3-2-8-18-16(12)10-13/h2-10H,17H2,1H3.
What are the key properties of 3-methyl-4-quinolin-7-ylaniline?
3-methyl-4-quinolin-7-ylaniline has a molecular weight of 234.30 g/mol, XLogP of 3.79, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-quinolin-7-ylaniline is sourced from PubChem (CID 81224279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).