3-methyl-4-propan-2-yloxyquinolin-8-amine

C13H16N2O — CID 139782280

IUPAC3-methyl-4-propan-2-yloxyquinolin-8-amine
SMILESCc1cnc2c(N)cccc2c1OC(C)C
InChIInChI=1S/C13H16N2O/c1-8(2)16-13-9(3)7-15-12-10(13)5-4-6-11(12)14/h4-8H,14H2,1-3H3
InChIKeyBRNNDSPPYSQXSV-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.91
Rot. Bonds2

About 3-methyl-4-propan-2-yloxyquinolin-8-amine

3-methyl-4-propan-2-yloxyquinolin-8-amine (PubChem CID 139782280) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 3-methyl-4-propan-2-yloxyquinolin-8-amine.

Molecular Properties

Compound Name3-methyl-4-propan-2-yloxyquinolin-8-amine
PubChem CID139782280
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name3-methyl-4-propan-2-yloxyquinolin-8-amine
SMILESCc1cnc2c(N)cccc2c1OC(C)C
InChIInChI=1S/C13H16N2O/c1-8(2)16-13-9(3)7-15-12-10(13)5-4-6-11(12)14/h4-8H,14H2,1-3H3
InChIKeyBRNNDSPPYSQXSV-UHFFFAOYSA-N
XLogP2.91
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-propan-2-yloxyquinolin-8-amine?
The IUPAC name of 3-methyl-4-propan-2-yloxyquinolin-8-amine (CID 139782280) is 3-methyl-4-propan-2-yloxyquinolin-8-amine.
What is the SMILES notation for 3-methyl-4-propan-2-yloxyquinolin-8-amine?
The canonical SMILES for 3-methyl-4-propan-2-yloxyquinolin-8-amine is Cc1cnc2c(N)cccc2c1OC(C)C.
What is the InChIKey of 3-methyl-4-propan-2-yloxyquinolin-8-amine?
The InChIKey is BRNNDSPPYSQXSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-8(2)16-13-9(3)7-15-12-10(13)5-4-6-11(12)14/h4-8H,14H2,1-3H3.
What are the key properties of 3-methyl-4-propan-2-yloxyquinolin-8-amine?
3-methyl-4-propan-2-yloxyquinolin-8-amine has a molecular weight of 216.28 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-propan-2-yloxyquinolin-8-amine is sourced from PubChem (CID 139782280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).