3-(6-methoxyquinolin-5-yl)-2-methylpropan-1-amine

C14H18N2O — CID 82576944

IUPAC3-(6-methoxyquinolin-5-yl)-2-methylpropan-1-amine
SMILESCOc1ccc2ncccc2c1CC(C)CN
InChIInChI=1S/C14H18N2O/c1-10(9-15)8-12-11-4-3-7-16-13(11)5-6-14(12)17-2/h3-7,10H,8-9,15H2,1-2H3
InChIKeyOVVULYONHAVDEF-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.38
Rot. Bonds4

About 3-(6-methoxyquinolin-5-yl)-2-methylpropan-1-amine

3-(6-methoxyquinolin-5-yl)-2-methylpropan-1-amine (PubChem CID 82576944) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 3-(6-methoxyquinolin-5-yl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name3-(6-methoxyquinolin-5-yl)-2-methylpropan-1-amine
PubChem CID82576944
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name3-(6-methoxyquinolin-5-yl)-2-methylpropan-1-amine
SMILESCOc1ccc2ncccc2c1CC(C)CN
InChIInChI=1S/C14H18N2O/c1-10(9-15)8-12-11-4-3-7-16-13(11)5-6-14(12)17-2/h3-7,10H,8-9,15H2,1-2H3
InChIKeyOVVULYONHAVDEF-UHFFFAOYSA-N
XLogP2.38
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(6-methoxyquinolin-5-yl)-2-methylpropan-1-amine?
The IUPAC name of 3-(6-methoxyquinolin-5-yl)-2-methylpropan-1-amine (CID 82576944) is 3-(6-methoxyquinolin-5-yl)-2-methylpropan-1-amine.
What is the SMILES notation for 3-(6-methoxyquinolin-5-yl)-2-methylpropan-1-amine?
The canonical SMILES for 3-(6-methoxyquinolin-5-yl)-2-methylpropan-1-amine is COc1ccc2ncccc2c1CC(C)CN.
What is the InChIKey of 3-(6-methoxyquinolin-5-yl)-2-methylpropan-1-amine?
The InChIKey is OVVULYONHAVDEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-10(9-15)8-12-11-4-3-7-16-13(11)5-6-14(12)17-2/h3-7,10H,8-9,15H2,1-2H3.
What are the key properties of 3-(6-methoxyquinolin-5-yl)-2-methylpropan-1-amine?
3-(6-methoxyquinolin-5-yl)-2-methylpropan-1-amine has a molecular weight of 230.31 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methoxyquinolin-5-yl)-2-methylpropan-1-amine is sourced from PubChem (CID 82576944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).