N-[(4-methoxyquinolin-2-yl)methyl]-2-methylpropan-2-amine

C15H20N2O — CID 63377449

IUPACN-[(4-methoxyquinolin-2-yl)methyl]-2-methylpropan-2-amine
SMILESCOc1cc(CNC(C)(C)C)nc2ccccc12
InChIInChI=1S/C15H20N2O/c1-15(2,3)16-10-11-9-14(18-4)12-7-5-6-8-13(12)17-11/h5-9,16H,10H2,1-4H3
InChIKeyDNRQZOGTJUIVEQ-UHFFFAOYSA-N
MW244.34 g/mol
LogP3.13
Rot. Bonds3

About N-[(4-methoxyquinolin-2-yl)methyl]-2-methylpropan-2-amine

N-[(4-methoxyquinolin-2-yl)methyl]-2-methylpropan-2-amine (PubChem CID 63377449) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is N-[(4-methoxyquinolin-2-yl)methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[(4-methoxyquinolin-2-yl)methyl]-2-methylpropan-2-amine
PubChem CID63377449
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC NameN-[(4-methoxyquinolin-2-yl)methyl]-2-methylpropan-2-amine
SMILESCOc1cc(CNC(C)(C)C)nc2ccccc12
InChIInChI=1S/C15H20N2O/c1-15(2,3)16-10-11-9-14(18-4)12-7-5-6-8-13(12)17-11/h5-9,16H,10H2,1-4H3
InChIKeyDNRQZOGTJUIVEQ-UHFFFAOYSA-N
XLogP3.13
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyquinolin-2-yl)methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[(4-methoxyquinolin-2-yl)methyl]-2-methylpropan-2-amine (CID 63377449) is N-[(4-methoxyquinolin-2-yl)methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[(4-methoxyquinolin-2-yl)methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[(4-methoxyquinolin-2-yl)methyl]-2-methylpropan-2-amine is COc1cc(CNC(C)(C)C)nc2ccccc12.
What is the InChIKey of N-[(4-methoxyquinolin-2-yl)methyl]-2-methylpropan-2-amine?
The InChIKey is DNRQZOGTJUIVEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-15(2,3)16-10-11-9-14(18-4)12-7-5-6-8-13(12)17-11/h5-9,16H,10H2,1-4H3.
What are the key properties of N-[(4-methoxyquinolin-2-yl)methyl]-2-methylpropan-2-amine?
N-[(4-methoxyquinolin-2-yl)methyl]-2-methylpropan-2-amine has a molecular weight of 244.34 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyquinolin-2-yl)methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 63377449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).