7-methoxy-N-methyl-3-[(2-methylpropan-2-yl)oxymethyl]quinolin-2-amine

C16H22N2O2 — CID 62193406

IUPAC7-methoxy-N-methyl-3-[(2-methylpropan-2-yl)oxymethyl]quinolin-2-amine
SMILESCNc1nc2cc(OC)ccc2cc1COC(C)(C)C
InChIInChI=1S/C16H22N2O2/c1-16(2,3)20-10-12-8-11-6-7-13(19-5)9-14(11)18-15(12)17-4/h6-9H,10H2,1-5H3,(H,17,18)
InChIKeyMVVNDWVKKIJETN-UHFFFAOYSA-N
MW274.36 g/mol
LogP3.60
Rot. Bonds4

About 7-methoxy-N-methyl-3-[(2-methylpropan-2-yl)oxymethyl]quinolin-2-amine

7-methoxy-N-methyl-3-[(2-methylpropan-2-yl)oxymethyl]quinolin-2-amine (PubChem CID 62193406) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 7-methoxy-N-methyl-3-[(2-methylpropan-2-yl)oxymethyl]quinolin-2-amine.

Molecular Properties

Compound Name7-methoxy-N-methyl-3-[(2-methylpropan-2-yl)oxymethyl]quinolin-2-amine
PubChem CID62193406
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name7-methoxy-N-methyl-3-[(2-methylpropan-2-yl)oxymethyl]quinolin-2-amine
SMILESCNc1nc2cc(OC)ccc2cc1COC(C)(C)C
InChIInChI=1S/C16H22N2O2/c1-16(2,3)20-10-12-8-11-6-7-13(19-5)9-14(11)18-15(12)17-4/h6-9H,10H2,1-5H3,(H,17,18)
InChIKeyMVVNDWVKKIJETN-UHFFFAOYSA-N
XLogP3.60
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(butan-2-yloxymethyl)-7-methoxy-N-methylquinolin-2-amine
CID 62188180
7-methoxy-3-(methoxymethyl)-N-propylquinolin-2-amine
CID 62194206
7-methoxy-3-(2-methoxyethylsulfanylmethyl)-N-methylquinolin-2-amine
CID 62189479
3-[[7-methoxy-2-(methylamino)quinolin-3-yl]methylsulfanyl]butan-2-ol
CID 107771944
3-(cyclopentylsulfanylmethyl)-7-methoxy-N-methylquinolin-2-amine
CID 63485538
[3-(ethoxymethyl)-7-methoxyquinolin-2-yl]hydrazine
CID 62245819
7-methoxy-3-(propan-2-yloxymethyl)-N-propylquinolin-2-amine
CID 62193913
7-methoxy-N-methyl-3-(1,3-oxazol-2-ylsulfanylmethyl)quinolin-2-amine
CID 106925505
3-bromo-N-tert-butyl-7-methoxyquinolin-2-amine
CID 129318045
[7-methoxy-3-(methylsulfanylmethyl)quinolin-2-yl]hydrazine
CID 62251762
3-ethyl-7-methoxy-2-methylquinoline
CID 90882709
N-ethyl-N-[(2-hydrazinyl-7-methoxyquinolin-3-yl)methyl]ethanamine
CID 62244421

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-N-methyl-3-[(2-methylpropan-2-yl)oxymethyl]quinolin-2-amine?
The IUPAC name of 7-methoxy-N-methyl-3-[(2-methylpropan-2-yl)oxymethyl]quinolin-2-amine (CID 62193406) is 7-methoxy-N-methyl-3-[(2-methylpropan-2-yl)oxymethyl]quinolin-2-amine.
What is the SMILES notation for 7-methoxy-N-methyl-3-[(2-methylpropan-2-yl)oxymethyl]quinolin-2-amine?
The canonical SMILES for 7-methoxy-N-methyl-3-[(2-methylpropan-2-yl)oxymethyl]quinolin-2-amine is CNc1nc2cc(OC)ccc2cc1COC(C)(C)C.
What is the InChIKey of 7-methoxy-N-methyl-3-[(2-methylpropan-2-yl)oxymethyl]quinolin-2-amine?
The InChIKey is MVVNDWVKKIJETN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-16(2,3)20-10-12-8-11-6-7-13(19-5)9-14(11)18-15(12)17-4/h6-9H,10H2,1-5H3,(H,17,18).
What are the key properties of 7-methoxy-N-methyl-3-[(2-methylpropan-2-yl)oxymethyl]quinolin-2-amine?
7-methoxy-N-methyl-3-[(2-methylpropan-2-yl)oxymethyl]quinolin-2-amine has a molecular weight of 274.36 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-N-methyl-3-[(2-methylpropan-2-yl)oxymethyl]quinolin-2-amine is sourced from PubChem (CID 62193406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).